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Compile Data Set for Download or QSAR

Found 256 hits Enz. Inhib. hit(s) with all data for entry = 7336   
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 (A677G)


(Homo sapiens (Human))
BDBM190202
PNG
(EPZ008337 | US9175331, 32)
Show SMILES CCN(C1CCC(CC1)N(C)C)c1cc(OC2CN(C)C2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |(-5.33,.77,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-5.33,-3.85,;-5.33,-5.39,;-4,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4,-7.7,;-2.67,-8.47,;-5.33,-8.47,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;.24,-4.17,;1.33,-5.26,;1.33,-6.8,;2.42,-4.17,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,3.85,;,5.39,;1.33,6.16,;1.33,7.7,;,8.47,;2.67,8.47,;4,7.7,;5.33,8.47,;4,6.16,;2.67,5.39,;2.67,3.85,;-2.67,.77,;-4,1.54,)|
Show InChI InChI=1S/C30H45N5O3/c1-8-35(23-11-9-22(10-12-23)33(5)6)28-15-24(38-25-17-34(7)18-25)14-26(21(28)4)29(36)31-16-27-19(2)13-20(3)32-30(27)37/h13-15,22-23,25H,8-12,16-18H2,1-7H3,(H,31,36)(H,32,37)
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n/an/a 0.800n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A677G)


(Homo sapiens (Human))
BDBM172176
PNG
(EPZ009161 | US10155002, Compound 184 | US9090562, ...)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(nc1)N1CCNCC1
Show InChI InChI=1S/C34H46N6O3/c1-5-7-25-18-23(3)38-34(42)30(25)22-37-33(41)29-19-27(26-8-9-32(36-21-26)39-14-12-35-13-15-39)20-31(24(29)4)40(6-2)28-10-16-43-17-11-28/h8-9,18-21,28,35H,5-7,10-17,22H2,1-4H3,(H,37,41)(H,38,42)
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n/an/a 0.800n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172176
PNG
(EPZ009161 | US10155002, Compound 184 | US9090562, ...)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(nc1)N1CCNCC1
Show InChI InChI=1S/C34H46N6O3/c1-5-7-25-18-23(3)38-34(42)30(25)22-37-33(41)29-19-27(26-8-9-32(36-21-26)39-14-12-35-13-15-39)20-31(24(29)4)40(6-2)28-10-16-43-17-11-28/h8-9,18-21,28,35H,5-7,10-17,22H2,1-4H3,(H,37,41)(H,38,42)
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A687V)


(Homo sapiens (Human))
BDBM172176
PNG
(EPZ009161 | US10155002, Compound 184 | US9090562, ...)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(nc1)N1CCNCC1
Show InChI InChI=1S/C34H46N6O3/c1-5-7-25-18-23(3)38-34(42)30(25)22-37-33(41)29-19-27(26-8-9-32(36-21-26)39-14-12-35-13-15-39)20-31(24(29)4)40(6-2)28-10-16-43-17-11-28/h8-9,18-21,28,35H,5-7,10-17,22H2,1-4H3,(H,37,41)(H,38,42)
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A677G)


(Homo sapiens (Human))
BDBM190201
PNG
(EPZ008336 | US9175331, 31)
Show SMILES CCN([C@@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1CC |r,wD:3.2,6.9,(-5.33,.77,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.33,-5.39,;-5.33,-3.85,;-4,-7.7,;-2.67,-8.47,;-5.33,-8.47,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,3.85,;,5.39,;1.33,6.16,;1.33,7.7,;,8.47,;2.67,8.47,;4,7.7,;5.33,8.47,;4,6.16,;2.67,5.39,;2.67,3.85,;-2.67,.77,;-4,1.54,;-4,3.08,)|
Show InChI InChI=1/C27H39ClN4O2/c1-7-22-23(26(33)29-16-24-17(3)13-18(4)30-27(24)34)14-19(28)15-25(22)32(8-2)21-11-9-20(10-12-21)31(5)6/h13-15,20-21H,7-12,16H2,1-6H3,(H,29,33)(H,30,34)/t20-,21+
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM190204
PNG
(EPZ008491 | US9175331, 35)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C(=O)N1CCC1 |r,wU:3.2,wD:6.9,(2.67,4.23,;1.33,5,;,4.23,;-1.33,5,;-2.67,4.23,;-4,5,;-4,6.54,;-2.67,7.31,;-1.33,6.54,;-5.33,7.31,;-6.67,6.54,;-5.33,8.85,;,2.69,;-1.33,1.93,;-1.33,.38,;,-.38,;1.33,.38,;2.67,-.38,;4,.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;5.33,-5,;6.67,-4.23,;5.33,-6.54,;4,-7.31,;4,-8.85,;2.67,-6.54,;2.67,-5,;1.33,-4.23,;1.33,1.93,;2.67,2.69,;-2.67,-.38,;-4,.38,;-2.67,-1.93,;-3.76,-3.01,;-2.67,-4.1,;-1.58,-3.01,)|
Show InChI InChI=1/C30H43N5O3/c1-7-35(24-11-9-23(10-12-24)33(5)6)27-17-22(30(38)34-13-8-14-34)16-25(21(27)4)28(36)31-18-26-19(2)15-20(3)32-29(26)37/h15-17,23-24H,7-14,18H2,1-6H3,(H,31,36)(H,32,37)/t23-,24-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A687V)


(Homo sapiens (Human))
BDBM190202
PNG
(EPZ008337 | US9175331, 32)
Show SMILES CCN(C1CCC(CC1)N(C)C)c1cc(OC2CN(C)C2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |(-5.33,.77,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-5.33,-3.85,;-5.33,-5.39,;-4,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4,-7.7,;-2.67,-8.47,;-5.33,-8.47,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;.24,-4.17,;1.33,-5.26,;1.33,-6.8,;2.42,-4.17,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,3.85,;,5.39,;1.33,6.16,;1.33,7.7,;,8.47,;2.67,8.47,;4,7.7,;5.33,8.47,;4,6.16,;2.67,5.39,;2.67,3.85,;-2.67,.77,;-4,1.54,)|
Show InChI InChI=1S/C30H45N5O3/c1-8-35(23-11-9-22(10-12-23)33(5)6)28-15-24(38-25-17-34(7)18-25)14-26(21(28)4)29(36)31-16-27-19(2)13-20(3)32-30(27)37/h13-15,22-23,25H,8-12,16-18H2,1-7H3,(H,31,36)(H,32,37)
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172138
PNG
(EPZ007428 | US10155002, Compound 145 | US9090562, ...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cnn(C)c1 |r,wU:3.2,wD:6.9,(-2,5.32,;-3.33,4.55,;-3.33,3.01,;-4.67,2.24,;-4.67,.7,;-6,-.07,;-7.34,.7,;-7.34,2.24,;-6,3.01,;-8.67,-.07,;-10,.7,;-8.67,-1.61,;-2,2.24,;-2,.7,;-.67,-.07,;.67,.7,;.67,2.24,;2,3.01,;2,4.55,;3.33,2.24,;4.67,3.01,;6,2.24,;7.34,3.01,;7.34,4.55,;8.67,2.24,;8.67,.7,;10,-.07,;7.34,-.07,;6,.7,;4.67,-.07,;-.67,3.01,;-.67,4.55,;-.67,-1.61,;-1.91,-2.52,;-1.44,-3.98,;.1,-3.98,;.87,-5.32,;.58,-2.52,)|
Show InChI InChI=1/C30H42N6O2/c1-8-36(25-11-9-24(10-12-25)34(5)6)28-15-22(23-16-32-35(7)18-23)14-26(21(28)4)29(37)31-17-27-19(2)13-20(3)33-30(27)38/h13-16,18,24-25H,8-12,17H2,1-7H3,(H,31,37)(H,33,38)/t24-,25-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172174
PNG
(EPZ008681 | US10155002, Compound 182 | US9090562, ...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(cc1)C(=O)NCCCO |r,wU:3.2,wD:6.9,(,-4.24,;,-2.7,;-1.33,-1.93,;-2.67,-2.7,;-2.67,-4.23,;-4,-5.01,;-5.33,-4.23,;-5.33,-2.7,;-4,-1.93,;-6.67,-5,;-8,-4.23,;-6.67,-6.54,;-1.33,-.39,;,.38,;,1.92,;-1.33,2.69,;-2.67,1.92,;-4,2.69,;-4,4.23,;-5.33,1.92,;-6.67,2.69,;-8,1.92,;-8,.38,;-6.67,-.39,;-9.34,-.39,;-10.67,.38,;-12,-.39,;-10.67,1.92,;-9.34,2.69,;-9.34,4.23,;-2.67,.38,;-4,-.38,;1.33,2.69,;1.33,4.23,;2.67,5,;4,4.23,;4,2.69,;2.67,1.92,;5.33,5,;5.33,6.54,;6.67,4.23,;8,5,;9.34,4.23,;10.67,5,;12,4.23,)|
Show InChI InChI=1/C36H49N5O4/c1-7-41(30-15-13-29(14-16-30)40(5)6)33-21-28(26-9-11-27(12-10-26)34(43)37-17-8-18-42)20-31(25(33)4)35(44)38-22-32-23(2)19-24(3)39-36(32)45/h9-12,19-21,29-30,42H,7-8,13-18,22H2,1-6H3,(H,37,43)(H,38,44)(H,39,45)/t29-,30-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A677G)


(Homo sapiens (Human))
BDBM190199
PNG
(EPZ008286 | US9175331, 29)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CC1CC1 |r,wU:3.2,wD:6.9,(-2,5.67,;-3.33,4.9,;-3.33,3.36,;-4.67,2.59,;-4.67,1.05,;-6,.28,;-7.34,1.05,;-7.34,2.59,;-6,3.36,;-8.67,.28,;-10,1.05,;-8.67,-1.26,;-2,2.59,;-2,1.05,;-.67,.28,;.67,1.05,;.67,2.59,;2,3.36,;2,4.9,;3.33,2.59,;4.67,3.36,;6,2.59,;7.34,3.36,;7.34,4.9,;8.67,2.59,;8.67,1.05,;10,.28,;7.34,.28,;6,1.05,;4.67,.28,;-.67,3.36,;-.67,4.9,;-.67,-1.26,;-.67,-2.8,;-.67,-4.34,;-1.44,-5.67,;.1,-5.67,)|
Show InChI InChI=1/C31H42N4O2/c1-7-35(26-14-12-25(13-15-26)34(5)6)29-18-24(11-10-23-8-9-23)17-27(22(29)4)30(36)32-19-28-20(2)16-21(3)33-31(28)37/h16-18,23,25-26H,7-9,12-15,19H2,1-6H3,(H,32,36)(H,33,37)/t25-,26-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM190202
PNG
(EPZ008337 | US9175331, 32)
Show SMILES CCN(C1CCC(CC1)N(C)C)c1cc(OC2CN(C)C2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |(-5.33,.77,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-5.33,-3.85,;-5.33,-5.39,;-4,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4,-7.7,;-2.67,-8.47,;-5.33,-8.47,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;.24,-4.17,;1.33,-5.26,;1.33,-6.8,;2.42,-4.17,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,3.85,;,5.39,;1.33,6.16,;1.33,7.7,;,8.47,;2.67,8.47,;4,7.7,;5.33,8.47,;4,6.16,;2.67,5.39,;2.67,3.85,;-2.67,.77,;-4,1.54,)|
Show InChI InChI=1S/C30H45N5O3/c1-8-35(23-11-9-22(10-12-23)33(5)6)28-15-24(38-25-17-34(7)18-25)14-26(21(28)4)29(36)31-16-27-19(2)13-20(3)32-30(27)37/h13-15,22-23,25H,8-12,16-18H2,1-7H3,(H,31,36)(H,32,37)
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A687V)


(Homo sapiens (Human))
BDBM190183
PNG
(EPZ006438 | US9175331, 9)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)nc2=O)c1C)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C34H43N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A677G)


(Homo sapiens (Human))
BDBM190200
PNG
(EPZ008335 | US9175331, 30)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1CC |r,wU:3.2,wD:6.9,(-5.33,.77,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.33,-5.39,;-5.33,-3.85,;-4,-7.7,;-2.67,-8.47,;-5.33,-8.47,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,3.85,;,5.39,;1.33,6.16,;1.33,7.7,;,8.47,;2.67,8.47,;4,7.7,;5.33,8.47,;4,6.16,;2.67,5.39,;2.67,3.85,;-2.67,.77,;-4,1.54,;-4,3.08,)|
Show InChI InChI=1/C27H39ClN4O2/c1-7-22-23(26(33)29-16-24-17(3)13-18(4)30-27(24)34)14-19(28)15-25(22)32(8-2)21-11-9-20(10-12-21)31(5)6/h13-15,20-21H,7-12,16H2,1-6H3,(H,29,33)(H,30,34)/t20-,21-
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n/an/a 1.5n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A677G)


(Homo sapiens (Human))
BDBM190203
PNG
(EPZ008344 | US9175331, 34)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CC(C)(C)O |r,wU:3.2,wD:6.9,(-5.33,.77,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.33,-5.39,;-5.33,-3.85,;-4,-7.7,;-2.67,-8.47,;-5.33,-8.47,;-2.67,-.77,;-1.33,-1.54,;,-.77,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,3.85,;,5.39,;1.33,6.16,;1.33,7.7,;,8.47,;2.67,8.47,;4,7.7,;5.33,8.47,;4,6.16,;2.67,5.39,;2.67,3.85,;-2.67,.77,;-4,1.54,;1.33,-1.54,;2.67,-2.31,;4,-3.08,;5.33,-3.85,;3.23,-4.41,;4.77,-1.75,)|
Show InChI InChI=1/C31H44N4O3/c1-9-35(25-12-10-24(11-13-25)34(7)8)28-18-23(14-15-31(5,6)38)17-26(22(28)4)29(36)32-19-27-20(2)16-21(3)33-30(27)37/h16-18,24-25,38H,9-13,19H2,1-8H3,(H,32,36)(H,33,37)/t24-,25-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A677G)


(Homo sapiens (Human))
BDBM190211
PNG
(EPZ008990 | US9175331, 47)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C1COC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wU:3.2,wD:6.9,(-2.67,-3.15,;-1.33,-3.92,;,-3.15,;1.33,-3.92,;2.67,-3.15,;4,-3.92,;4,-5.46,;2.67,-6.23,;1.33,-5.46,;5.33,-6.23,;6.67,-5.46,;5.33,-7.77,;4.25,-8.85,;5.33,-9.94,;6.42,-8.85,;,-1.61,;1.33,-.84,;1.33,.7,;2.67,1.47,;,1.47,;-1.33,.7,;-2.67,1.47,;-4,.7,;-2.67,3.01,;-4,3.78,;-4,5.32,;-5.33,6.09,;-6.67,5.32,;-5.33,7.63,;-4,8.4,;-4,9.94,;-2.67,7.63,;-2.67,6.09,;-1.33,5.32,;-1.33,-.84,;-2.67,-1.61,)|
Show InChI InChI=1/C28H39ClN4O3/c1-6-33(22-9-7-21(8-10-22)32(5)23-15-36-16-23)26-13-20(29)12-24(19(26)4)27(34)30-14-25-17(2)11-18(3)31-28(25)35/h11-13,21-23H,6-10,14-16H2,1-5H3,(H,30,34)(H,31,35)/t21-,22-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM190223
PNG
(EPZ009158 | US9175331, 60)
Show SMILES CCN(C1CCC(CO)CC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |(-5.33,.77,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-5.33,-3.85,;-5.33,-5.39,;-4,-6.16,;-4,-7.7,;-5.33,-8.47,;-2.67,-5.39,;-2.67,-3.85,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,3.85,;,5.39,;1.33,6.16,;1.33,7.7,;,8.47,;2.67,8.47,;4,7.7,;5.33,8.47,;4,6.16,;2.67,5.39,;2.67,3.85,;-2.67,.77,;-4,1.54,)|
Show InChI InChI=1S/C25H34ClN3O3/c1-5-29(20-8-6-18(14-30)7-9-20)23-12-19(26)11-21(17(23)4)24(31)27-13-22-15(2)10-16(3)28-25(22)32/h10-12,18,20,30H,5-9,13-14H2,1-4H3,(H,27,31)(H,28,32)
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A687V)


(Homo sapiens (Human))
BDBM190211
PNG
(EPZ008990 | US9175331, 47)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C1COC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wU:3.2,wD:6.9,(-2.67,-3.15,;-1.33,-3.92,;,-3.15,;1.33,-3.92,;2.67,-3.15,;4,-3.92,;4,-5.46,;2.67,-6.23,;1.33,-5.46,;5.33,-6.23,;6.67,-5.46,;5.33,-7.77,;4.25,-8.85,;5.33,-9.94,;6.42,-8.85,;,-1.61,;1.33,-.84,;1.33,.7,;2.67,1.47,;,1.47,;-1.33,.7,;-2.67,1.47,;-4,.7,;-2.67,3.01,;-4,3.78,;-4,5.32,;-5.33,6.09,;-6.67,5.32,;-5.33,7.63,;-4,8.4,;-4,9.94,;-2.67,7.63,;-2.67,6.09,;-1.33,5.32,;-1.33,-.84,;-2.67,-1.61,)|
Show InChI InChI=1/C28H39ClN4O3/c1-6-33(22-9-7-21(8-10-22)32(5)23-15-36-16-23)26-13-20(29)12-24(19(26)4)27(34)30-14-25-17(2)11-18(3)31-28(25)35/h11-13,21-23H,6-10,14-16H2,1-5H3,(H,30,34)(H,31,35)/t21-,22-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A687V)


(Homo sapiens (Human))
BDBM190199
PNG
(EPZ008286 | US9175331, 29)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CC1CC1 |r,wU:3.2,wD:6.9,(-2,5.67,;-3.33,4.9,;-3.33,3.36,;-4.67,2.59,;-4.67,1.05,;-6,.28,;-7.34,1.05,;-7.34,2.59,;-6,3.36,;-8.67,.28,;-10,1.05,;-8.67,-1.26,;-2,2.59,;-2,1.05,;-.67,.28,;.67,1.05,;.67,2.59,;2,3.36,;2,4.9,;3.33,2.59,;4.67,3.36,;6,2.59,;7.34,3.36,;7.34,4.9,;8.67,2.59,;8.67,1.05,;10,.28,;7.34,.28,;6,1.05,;4.67,.28,;-.67,3.36,;-.67,4.9,;-.67,-1.26,;-.67,-2.8,;-.67,-4.34,;-1.44,-5.67,;.1,-5.67,)|
Show InChI InChI=1/C31H42N4O2/c1-7-35(26-14-12-25(13-15-26)34(5)6)29-18-24(11-10-23-8-9-23)17-27(22(29)4)30(36)32-19-28-20(2)16-21(3)33-31(28)37/h16-18,23,25-26H,7-9,12-15,19H2,1-6H3,(H,32,36)(H,33,37)/t25-,26-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A677G)


(Homo sapiens (Human))
BDBM172138
PNG
(EPZ007428 | US10155002, Compound 145 | US9090562, ...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cnn(C)c1 |r,wU:3.2,wD:6.9,(-2,5.32,;-3.33,4.55,;-3.33,3.01,;-4.67,2.24,;-4.67,.7,;-6,-.07,;-7.34,.7,;-7.34,2.24,;-6,3.01,;-8.67,-.07,;-10,.7,;-8.67,-1.61,;-2,2.24,;-2,.7,;-.67,-.07,;.67,.7,;.67,2.24,;2,3.01,;2,4.55,;3.33,2.24,;4.67,3.01,;6,2.24,;7.34,3.01,;7.34,4.55,;8.67,2.24,;8.67,.7,;10,-.07,;7.34,-.07,;6,.7,;4.67,-.07,;-.67,3.01,;-.67,4.55,;-.67,-1.61,;-1.91,-2.52,;-1.44,-3.98,;.1,-3.98,;.87,-5.32,;.58,-2.52,)|
Show InChI InChI=1/C30H42N6O2/c1-8-36(25-11-9-24(10-12-25)34(5)6)28-15-22(23-16-32-35(7)18-23)14-26(21(28)4)29(37)31-17-27-19(2)13-20(3)33-30(27)38/h13-16,18,24-25H,8-12,17H2,1-7H3,(H,31,37)(H,33,38)/t24-,25-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A687V)


(Homo sapiens (Human))
BDBM172138
PNG
(EPZ007428 | US10155002, Compound 145 | US9090562, ...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cnn(C)c1 |r,wU:3.2,wD:6.9,(-2,5.32,;-3.33,4.55,;-3.33,3.01,;-4.67,2.24,;-4.67,.7,;-6,-.07,;-7.34,.7,;-7.34,2.24,;-6,3.01,;-8.67,-.07,;-10,.7,;-8.67,-1.61,;-2,2.24,;-2,.7,;-.67,-.07,;.67,.7,;.67,2.24,;2,3.01,;2,4.55,;3.33,2.24,;4.67,3.01,;6,2.24,;7.34,3.01,;7.34,4.55,;8.67,2.24,;8.67,.7,;10,-.07,;7.34,-.07,;6,.7,;4.67,-.07,;-.67,3.01,;-.67,4.55,;-.67,-1.61,;-1.91,-2.52,;-1.44,-3.98,;.1,-3.98,;.87,-5.32,;.58,-2.52,)|
Show InChI InChI=1/C30H42N6O2/c1-8-36(25-11-9-24(10-12-25)34(5)6)28-15-22(23-16-32-35(7)18-23)14-26(21(28)4)29(37)31-17-27-19(2)13-20(3)33-30(27)38/h13-16,18,24-25H,8-12,17H2,1-7H3,(H,31,37)(H,33,38)/t24-,25-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM190223
PNG
(EPZ009158 | US9175331, 60)
Show SMILES CCN(C1CCC(CO)CC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |(-5.33,.77,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-5.33,-3.85,;-5.33,-5.39,;-4,-6.16,;-4,-7.7,;-5.33,-8.47,;-2.67,-5.39,;-2.67,-3.85,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,3.85,;,5.39,;1.33,6.16,;1.33,7.7,;,8.47,;2.67,8.47,;4,7.7,;5.33,8.47,;4,6.16,;2.67,5.39,;2.67,3.85,;-2.67,.77,;-4,1.54,)|
Show InChI InChI=1S/C25H34ClN3O3/c1-5-29(20-8-6-18(14-30)7-9-20)23-12-19(26)11-21(17(23)4)24(31)27-13-22-15(2)10-16(3)28-25(22)32/h10-12,18,20,30H,5-9,13-14H2,1-4H3,(H,27,31)(H,28,32)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A677G)


(Homo sapiens (Human))
BDBM190183
PNG
(EPZ006438 | US9175331, 9)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)nc2=O)c1C)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C34H43N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A677G)


(Homo sapiens (Human))
BDBM190210
PNG
(EPZ008989 | US9175331, 46)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)CC(F)F)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wU:3.2,wD:6.9,(-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-3.33,-5,;-4.67,-4.23,;-4.67,-2.69,;-3.33,-6.54,;-2,-7.31,;-4.67,-7.31,;-4.67,-8.85,;-6,-9.63,;-3.33,-9.63,;-2,.38,;-.67,-.38,;.67,.38,;2,-.38,;.67,1.93,;-.67,2.69,;-.67,4.23,;-2,5,;.67,5,;.67,6.54,;2,7.31,;2,8.85,;.67,9.63,;3.33,9.63,;4.67,8.85,;6,9.63,;4.67,7.31,;3.33,6.54,;3.33,5,;-2,1.93,;-3.33,2.69,)|
Show InChI InChI=1/C27H37ClF2N4O2/c1-6-34(21-9-7-20(8-10-21)33(5)15-25(29)30)24-13-19(28)12-22(18(24)4)26(35)31-14-23-16(2)11-17(3)32-27(23)36/h11-13,20-21,25H,6-10,14-15H2,1-5H3,(H,31,35)(H,32,36)/t20-,21-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A677G)


(Homo sapiens (Human))
BDBM190198
PNG
(EPZ008279 | US9175331, 27)
Show SMILES CCN(C1CCOCC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(CC)[nH]c2=O)c1C
Show InChI InChI=1S/C24H32ClN3O3/c1-5-18-11-15(3)21(24(30)27-18)14-26-23(29)20-12-17(25)13-22(16(20)4)28(6-2)19-7-9-31-10-8-19/h11-13,19H,5-10,14H2,1-4H3,(H,26,29)(H,27,30)
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A677G)


(Homo sapiens (Human))
BDBM190196
PNG
(EPZ008277 | US9175331, 25)
Show SMILES CC(C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCN(C)CC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C31H38N6O2/c1-19(2)37-18-21(4)29-25(30(38)33-17-26-20(3)13-22(5)34-31(26)39)14-24(15-27(29)37)23-7-8-28(32-16-23)36-11-9-35(6)10-12-36/h7-8,13-16,18-19H,9-12,17H2,1-6H3,(H,33,38)(H,34,39)
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A687V)


(Homo sapiens (Human))
BDBM190201
PNG
(EPZ008336 | US9175331, 31)
Show SMILES CCN([C@@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1CC |r,wD:3.2,6.9,(-5.33,.77,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.33,-5.39,;-5.33,-3.85,;-4,-7.7,;-2.67,-8.47,;-5.33,-8.47,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,3.85,;,5.39,;1.33,6.16,;1.33,7.7,;,8.47,;2.67,8.47,;4,7.7,;5.33,8.47,;4,6.16,;2.67,5.39,;2.67,3.85,;-2.67,.77,;-4,1.54,;-4,3.08,)|
Show InChI InChI=1/C27H39ClN4O2/c1-7-22-23(26(33)29-16-24-17(3)13-18(4)30-27(24)34)14-19(28)15-25(22)32(8-2)21-11-9-20(10-12-21)31(5)6/h13-15,20-21H,7-12,16H2,1-6H3,(H,29,33)(H,30,34)/t20-,21+
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM190190
PNG
(EPZ007648 | US9175331, 18)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N1CCC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wU:3.2,wD:6.9,(-5.33,1.47,;-5.33,-.07,;-4,-.84,;-4,-2.38,;-2.67,-3.15,;-2.67,-4.69,;-4,-5.46,;-5.33,-4.69,;-5.33,-3.15,;-4,-7,;-5.09,-8.08,;-4,-9.17,;-2.91,-8.08,;-2.67,-.07,;-1.33,-.84,;,-.07,;1.33,-.84,;,1.47,;-1.33,2.24,;-1.33,3.78,;-2.67,4.55,;,4.55,;,6.09,;1.33,6.86,;1.33,8.4,;,9.17,;2.67,9.17,;4,8.4,;5.33,9.17,;4,6.86,;2.67,6.09,;2.67,4.55,;-2.67,1.47,;-4,2.24,)|
Show InChI InChI=1/C27H37ClN4O2/c1-5-32(22-9-7-21(8-10-22)31-11-6-12-31)25-15-20(28)14-23(19(25)4)26(33)29-16-24-17(2)13-18(3)30-27(24)34/h13-15,21-22H,5-12,16H2,1-4H3,(H,29,33)(H,30,34)/t21-,22-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM190184
PNG
(EPZ006632 | US9175331, 10)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)nc2=O)c1C)-c1ccc(CN2CCCN(C)CC2)cc1
Show InChI InChI=1S/C36H48N5O3/c1-6-41(31-12-18-44-19-13-31)34-22-30(29-10-8-28(9-11-29)24-40-15-7-14-39(5)16-17-40)21-32(27(34)4)35(42)37-23-33-25(2)20-26(3)38-36(33)43/h8-11,20-22,31H,6-7,12-19,23-24H2,1-5H3,(H,37,42)
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM190199
PNG
(EPZ008286 | US9175331, 29)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CC1CC1 |r,wU:3.2,wD:6.9,(-2,5.67,;-3.33,4.9,;-3.33,3.36,;-4.67,2.59,;-4.67,1.05,;-6,.28,;-7.34,1.05,;-7.34,2.59,;-6,3.36,;-8.67,.28,;-10,1.05,;-8.67,-1.26,;-2,2.59,;-2,1.05,;-.67,.28,;.67,1.05,;.67,2.59,;2,3.36,;2,4.9,;3.33,2.59,;4.67,3.36,;6,2.59,;7.34,3.36,;7.34,4.9,;8.67,2.59,;8.67,1.05,;10,.28,;7.34,.28,;6,1.05,;4.67,.28,;-.67,3.36,;-.67,4.9,;-.67,-1.26,;-.67,-2.8,;-.67,-4.34,;-1.44,-5.67,;.1,-5.67,)|
Show InChI InChI=1/C31H42N4O2/c1-7-35(26-14-12-25(13-15-26)34(5)6)29-18-24(11-10-23-8-9-23)17-27(22(29)4)30(36)32-19-28-20(2)16-21(3)33-31(28)37/h16-18,23,25-26H,7-9,12-15,19H2,1-6H3,(H,32,36)(H,33,37)/t25-,26-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A687V)


(Homo sapiens (Human))
BDBM190223
PNG
(EPZ009158 | US9175331, 60)
Show SMILES CCN(C1CCC(CO)CC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |(-5.33,.77,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-5.33,-3.85,;-5.33,-5.39,;-4,-6.16,;-4,-7.7,;-5.33,-8.47,;-2.67,-5.39,;-2.67,-3.85,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,3.85,;,5.39,;1.33,6.16,;1.33,7.7,;,8.47,;2.67,8.47,;4,7.7,;5.33,8.47,;4,6.16,;2.67,5.39,;2.67,3.85,;-2.67,.77,;-4,1.54,)|
Show InChI InChI=1S/C25H34ClN3O3/c1-5-29(20-8-6-18(14-30)7-9-20)23-12-19(26)11-21(17(23)4)24(31)27-13-22-15(2)10-16(3)28-25(22)32/h10-12,18,20,30H,5-9,13-14H2,1-4H3,(H,27,31)(H,28,32)
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A677G)


(Homo sapiens (Human))
BDBM172174
PNG
(EPZ008681 | US10155002, Compound 182 | US9090562, ...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(cc1)C(=O)NCCCO |r,wU:3.2,wD:6.9,(,-4.24,;,-2.7,;-1.33,-1.93,;-2.67,-2.7,;-2.67,-4.23,;-4,-5.01,;-5.33,-4.23,;-5.33,-2.7,;-4,-1.93,;-6.67,-5,;-8,-4.23,;-6.67,-6.54,;-1.33,-.39,;,.38,;,1.92,;-1.33,2.69,;-2.67,1.92,;-4,2.69,;-4,4.23,;-5.33,1.92,;-6.67,2.69,;-8,1.92,;-8,.38,;-6.67,-.39,;-9.34,-.39,;-10.67,.38,;-12,-.39,;-10.67,1.92,;-9.34,2.69,;-9.34,4.23,;-2.67,.38,;-4,-.38,;1.33,2.69,;1.33,4.23,;2.67,5,;4,4.23,;4,2.69,;2.67,1.92,;5.33,5,;5.33,6.54,;6.67,4.23,;8,5,;9.34,4.23,;10.67,5,;12,4.23,)|
Show InChI InChI=1/C36H49N5O4/c1-7-41(30-15-13-29(14-16-30)40(5)6)33-21-28(26-9-11-27(12-10-26)34(43)37-17-8-18-42)20-31(25(33)4)35(44)38-22-32-23(2)19-24(3)39-36(32)45/h9-12,19-21,29-30,42H,7-8,13-18,22H2,1-6H3,(H,37,43)(H,38,44)(H,39,45)/t29-,30-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A677G)


(Homo sapiens (Human))
BDBM190223
PNG
(EPZ009158 | US9175331, 60)
Show SMILES CCN(C1CCC(CO)CC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |(-5.33,.77,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-5.33,-3.85,;-5.33,-5.39,;-4,-6.16,;-4,-7.7,;-5.33,-8.47,;-2.67,-5.39,;-2.67,-3.85,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,3.85,;,5.39,;1.33,6.16,;1.33,7.7,;,8.47,;2.67,8.47,;4,7.7,;5.33,8.47,;4,6.16,;2.67,5.39,;2.67,3.85,;-2.67,.77,;-4,1.54,)|
Show InChI InChI=1S/C25H34ClN3O3/c1-5-29(20-8-6-18(14-30)7-9-20)23-12-19(26)11-21(17(23)4)24(31)27-13-22-15(2)10-16(3)28-25(22)32/h10-12,18,20,30H,5-9,13-14H2,1-4H3,(H,27,31)(H,28,32)
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A677G)


(Homo sapiens (Human))
BDBM190206
PNG
(EPZ008494 | US9175331, 37)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)cc(N(CC)[C@H]2CC[C@@H](CC2)N(C)C)c1C |r,wU:24.24,wD:27.31,(-4.67,-1.54,;-4.67,-3.08,;-3.33,-3.85,;-3.33,-5.39,;-4.67,-6.16,;-4.67,-7.7,;-6,-8.47,;-3.33,-8.47,;-2,-7.7,;-.67,-8.47,;-2,-6.16,;-.67,-5.39,;-.67,-3.85,;.67,-3.08,;2,-3.85,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;.67,1.54,;2,.77,;3.33,1.54,;4.67,.77,;6,1.54,;3.33,3.08,;2,3.85,;2,5.39,;3.33,6.16,;4.67,5.39,;4.67,3.85,;3.33,7.7,;2,8.47,;4.67,8.47,;2,-.77,;3.33,-1.54,)|
Show InChI InChI=1/C28H41ClN4O2/c1-7-9-20-14-18(3)31-28(35)25(20)17-30-27(34)24-15-21(29)16-26(19(24)4)33(8-2)23-12-10-22(11-13-23)32(5)6/h14-16,22-23H,7-13,17H2,1-6H3,(H,30,34)(H,31,35)/t22-,23-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A687V)


(Homo sapiens (Human))
BDBM190210
PNG
(EPZ008989 | US9175331, 46)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)CC(F)F)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wU:3.2,wD:6.9,(-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-3.33,-5,;-4.67,-4.23,;-4.67,-2.69,;-3.33,-6.54,;-2,-7.31,;-4.67,-7.31,;-4.67,-8.85,;-6,-9.63,;-3.33,-9.63,;-2,.38,;-.67,-.38,;.67,.38,;2,-.38,;.67,1.93,;-.67,2.69,;-.67,4.23,;-2,5,;.67,5,;.67,6.54,;2,7.31,;2,8.85,;.67,9.63,;3.33,9.63,;4.67,8.85,;6,9.63,;4.67,7.31,;3.33,6.54,;3.33,5,;-2,1.93,;-3.33,2.69,)|
Show InChI InChI=1/C27H37ClF2N4O2/c1-6-34(21-9-7-20(8-10-21)33(5)15-25(29)30)24-13-19(28)12-22(18(24)4)26(35)31-14-23-16(2)11-17(3)32-27(23)36/h11-13,20-21,25H,6-10,14-15H2,1-5H3,(H,31,35)(H,32,36)/t20-,21-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A677G)


(Homo sapiens (Human))
BDBM172166
PNG
(EPZ008280 | US10155002, Compound 174 | US9090562, ...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cnccn1 |r,wU:3.2,wD:6.9,(-2,5,;-3.33,4.23,;-3.33,2.69,;-4.67,1.93,;-4.67,.38,;-6,-.38,;-7.34,.38,;-7.34,1.93,;-6,2.69,;-8.67,-.38,;-10,.38,;-8.67,-1.93,;-2,1.93,;-2,.38,;-.67,-.38,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,1.93,;4.67,2.69,;6,1.93,;7.34,2.69,;7.34,4.23,;8.67,1.93,;8.67,.38,;10,-.38,;7.34,-.38,;6,.38,;4.67,-.38,;-.67,2.69,;-.67,4.23,;-.67,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;.67,-4.23,;.67,-2.69,)|
Show InChI InChI=1/C30H40N6O2/c1-7-36(24-10-8-23(9-11-24)35(5)6)28-16-22(27-18-31-12-13-32-27)15-25(21(28)4)29(37)33-17-26-19(2)14-20(3)34-30(26)38/h12-16,18,23-24H,7-11,17H2,1-6H3,(H,33,37)(H,34,38)/t23-,24-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172166
PNG
(EPZ008280 | US10155002, Compound 174 | US9090562, ...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cnccn1 |r,wU:3.2,wD:6.9,(-2,5,;-3.33,4.23,;-3.33,2.69,;-4.67,1.93,;-4.67,.38,;-6,-.38,;-7.34,.38,;-7.34,1.93,;-6,2.69,;-8.67,-.38,;-10,.38,;-8.67,-1.93,;-2,1.93,;-2,.38,;-.67,-.38,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,1.93,;4.67,2.69,;6,1.93,;7.34,2.69,;7.34,4.23,;8.67,1.93,;8.67,.38,;10,-.38,;7.34,-.38,;6,.38,;4.67,-.38,;-.67,2.69,;-.67,4.23,;-.67,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;.67,-4.23,;.67,-2.69,)|
Show InChI InChI=1/C30H40N6O2/c1-7-36(24-10-8-23(9-11-24)35(5)6)28-16-22(27-18-31-12-13-32-27)15-25(21(28)4)29(37)33-17-26-19(2)14-20(3)34-30(26)38/h12-16,18,23-24H,7-11,17H2,1-6H3,(H,33,37)(H,34,38)/t23-,24-
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n/an/a 2.90n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172174
PNG
(EPZ008681 | US10155002, Compound 182 | US9090562, ...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(cc1)C(=O)NCCCO |r,wU:3.2,wD:6.9,(,-4.24,;,-2.7,;-1.33,-1.93,;-2.67,-2.7,;-2.67,-4.23,;-4,-5.01,;-5.33,-4.23,;-5.33,-2.7,;-4,-1.93,;-6.67,-5,;-8,-4.23,;-6.67,-6.54,;-1.33,-.39,;,.38,;,1.92,;-1.33,2.69,;-2.67,1.92,;-4,2.69,;-4,4.23,;-5.33,1.92,;-6.67,2.69,;-8,1.92,;-8,.38,;-6.67,-.39,;-9.34,-.39,;-10.67,.38,;-12,-.39,;-10.67,1.92,;-9.34,2.69,;-9.34,4.23,;-2.67,.38,;-4,-.38,;1.33,2.69,;1.33,4.23,;2.67,5,;4,4.23,;4,2.69,;2.67,1.92,;5.33,5,;5.33,6.54,;6.67,4.23,;8,5,;9.34,4.23,;10.67,5,;12,4.23,)|
Show InChI InChI=1/C36H49N5O4/c1-7-41(30-15-13-29(14-16-30)40(5)6)33-21-28(26-9-11-27(12-10-26)34(43)37-17-8-18-42)20-31(25(33)4)35(44)38-22-32-23(2)19-24(3)39-36(32)45/h9-12,19-21,29-30,42H,7-8,13-18,22H2,1-6H3,(H,37,43)(H,38,44)(H,39,45)/t29-,30-
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n/an/a 2.90n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A677G)


(Homo sapiens (Human))
BDBM190217
PNG
(EPZ009152 | US9175331, 54)
Show SMILES CCOC(=O)[C@H]1CC[C@@H](CC1)N(CC)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wU:5.4,wD:8.11,(6.67,8.47,;5.33,7.7,;4,8.47,;2.67,7.7,;1.33,8.47,;2.67,6.16,;4,5.39,;4,3.85,;2.67,3.08,;1.33,3.85,;1.33,5.39,;2.67,1.54,;4,.77,;4,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-1.33,-.77,;,-1.54,;,-3.08,;1.33,-3.85,;-1.33,-3.85,;-1.33,-5.39,;-2.67,-6.16,;-2.67,-7.7,;-1.33,-8.47,;-4,-8.47,;-5.33,-7.7,;-6.67,-8.47,;-5.33,-6.16,;-4,-5.39,;-4,-3.85,;1.33,-.77,;2.67,-1.54,)|
Show InChI InChI=1/C27H36ClN3O4/c1-6-31(21-10-8-19(9-11-21)27(34)35-7-2)24-14-20(28)13-22(18(24)5)25(32)29-15-23-16(3)12-17(4)30-26(23)33/h12-14,19,21H,6-11,15H2,1-5H3,(H,29,32)(H,30,33)/t19-,21-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A677G)


(Homo sapiens (Human))
BDBM190204
PNG
(EPZ008491 | US9175331, 35)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C(=O)N1CCC1 |r,wU:3.2,wD:6.9,(2.67,4.23,;1.33,5,;,4.23,;-1.33,5,;-2.67,4.23,;-4,5,;-4,6.54,;-2.67,7.31,;-1.33,6.54,;-5.33,7.31,;-6.67,6.54,;-5.33,8.85,;,2.69,;-1.33,1.93,;-1.33,.38,;,-.38,;1.33,.38,;2.67,-.38,;4,.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;5.33,-5,;6.67,-4.23,;5.33,-6.54,;4,-7.31,;4,-8.85,;2.67,-6.54,;2.67,-5,;1.33,-4.23,;1.33,1.93,;2.67,2.69,;-2.67,-.38,;-4,.38,;-2.67,-1.93,;-3.76,-3.01,;-2.67,-4.1,;-1.58,-3.01,)|
Show InChI InChI=1/C30H43N5O3/c1-7-35(24-11-9-23(10-12-24)33(5)6)27-17-22(30(38)34-13-8-14-34)16-25(21(27)4)28(36)31-18-26-19(2)15-20(3)32-29(26)37/h15-17,23-24H,7-14,18H2,1-6H3,(H,31,36)(H,32,37)/t23-,24-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM190208
PNG
(EPZ008630 | US9175331, 43)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1Cl |r,wU:3.2,wD:6.9,(-5.33,.77,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.33,-5.39,;-5.33,-3.85,;-4,-7.7,;-2.67,-8.47,;-5.33,-8.47,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,3.85,;,5.39,;1.33,6.16,;1.33,7.7,;,8.47,;2.67,8.47,;4,7.7,;5.33,8.47,;4,6.16,;2.67,5.39,;2.67,3.85,;-2.67,.77,;-4,1.54,)|
Show InChI InChI=1/C25H34BrClN4O2/c1-6-31(19-9-7-18(8-10-19)30(4)5)22-13-17(26)12-20(23(22)27)24(32)28-14-21-15(2)11-16(3)29-25(21)33/h11-13,18-19H,6-10,14H2,1-5H3,(H,28,32)(H,29,33)/t18-,19-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A687V)


(Homo sapiens (Human))
BDBM190204
PNG
(EPZ008491 | US9175331, 35)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C(=O)N1CCC1 |r,wU:3.2,wD:6.9,(2.67,4.23,;1.33,5,;,4.23,;-1.33,5,;-2.67,4.23,;-4,5,;-4,6.54,;-2.67,7.31,;-1.33,6.54,;-5.33,7.31,;-6.67,6.54,;-5.33,8.85,;,2.69,;-1.33,1.93,;-1.33,.38,;,-.38,;1.33,.38,;2.67,-.38,;4,.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;5.33,-5,;6.67,-4.23,;5.33,-6.54,;4,-7.31,;4,-8.85,;2.67,-6.54,;2.67,-5,;1.33,-4.23,;1.33,1.93,;2.67,2.69,;-2.67,-.38,;-4,.38,;-2.67,-1.93,;-3.76,-3.01,;-2.67,-4.1,;-1.58,-3.01,)|
Show InChI InChI=1/C30H43N5O3/c1-7-35(24-11-9-23(10-12-24)33(5)6)27-17-22(30(38)34-13-8-14-34)16-25(21(27)4)28(36)31-18-26-19(2)15-20(3)32-29(26)37/h15-17,23-24H,7-14,18H2,1-6H3,(H,31,36)(H,32,37)/t23-,24-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A687V)


(Homo sapiens (Human))
BDBM190200
PNG
(EPZ008335 | US9175331, 30)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1CC |r,wU:3.2,wD:6.9,(-5.33,.77,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.33,-5.39,;-5.33,-3.85,;-4,-7.7,;-2.67,-8.47,;-5.33,-8.47,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,3.85,;,5.39,;1.33,6.16,;1.33,7.7,;,8.47,;2.67,8.47,;4,7.7,;5.33,8.47,;4,6.16,;2.67,5.39,;2.67,3.85,;-2.67,.77,;-4,1.54,;-4,3.08,)|
Show InChI InChI=1/C27H39ClN4O2/c1-7-22-23(26(33)29-16-24-17(3)13-18(4)30-27(24)34)14-19(28)15-25(22)32(8-2)21-11-9-20(10-12-21)31(5)6/h13-15,20-21H,7-12,16H2,1-6H3,(H,29,33)(H,30,34)/t20-,21-
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n/an/a 2.90n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM190217
PNG
(EPZ009152 | US9175331, 54)
Show SMILES CCOC(=O)[C@H]1CC[C@@H](CC1)N(CC)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wU:5.4,wD:8.11,(6.67,8.47,;5.33,7.7,;4,8.47,;2.67,7.7,;1.33,8.47,;2.67,6.16,;4,5.39,;4,3.85,;2.67,3.08,;1.33,3.85,;1.33,5.39,;2.67,1.54,;4,.77,;4,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-1.33,-.77,;,-1.54,;,-3.08,;1.33,-3.85,;-1.33,-3.85,;-1.33,-5.39,;-2.67,-6.16,;-2.67,-7.7,;-1.33,-8.47,;-4,-8.47,;-5.33,-7.7,;-6.67,-8.47,;-5.33,-6.16,;-4,-5.39,;-4,-3.85,;1.33,-.77,;2.67,-1.54,)|
Show InChI InChI=1/C27H36ClN3O4/c1-6-31(21-10-8-19(9-11-21)27(34)35-7-2)24-14-20(28)13-22(18(24)5)25(32)29-15-23-16(3)12-17(4)30-26(23)33/h12-14,19,21H,6-11,15H2,1-5H3,(H,29,32)(H,30,33)/t19-,21-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A677G)


(Homo sapiens (Human))
BDBM172167
PNG
(EPZ008338 | US10155002, Compound 175 | US9090562, ...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cnc(C)cn1 |r,wU:3.2,wD:6.9,(-2,5.78,;-3.33,5,;-3.33,3.47,;-4.67,2.69,;-4.67,1.15,;-6,.38,;-7.34,1.15,;-7.34,2.69,;-6,3.47,;-8.67,.38,;-10,1.15,;-8.67,-1.15,;-2,2.69,;-2,1.15,;-.67,.38,;.67,1.15,;.67,2.69,;2,3.47,;2,5,;3.33,2.69,;4.67,3.47,;6,2.69,;7.34,3.47,;7.34,5,;8.67,2.69,;8.67,1.15,;10,.38,;7.34,.38,;6,1.15,;4.67,.38,;-.67,3.47,;-.67,5,;-.67,-1.15,;-2,-1.93,;-2,-3.47,;-.67,-4.23,;-.67,-5.78,;.67,-3.47,;.67,-1.93,)|
Show InChI InChI=1/C31H42N6O2/c1-8-37(25-11-9-24(10-12-25)36(6)7)29-15-23(28-18-32-21(4)16-33-28)14-26(22(29)5)30(38)34-17-27-19(2)13-20(3)35-31(27)39/h13-16,18,24-25H,8-12,17H2,1-7H3,(H,34,38)(H,35,39)/t24-,25-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM190217
PNG
(EPZ009152 | US9175331, 54)
Show SMILES CCOC(=O)[C@H]1CC[C@@H](CC1)N(CC)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wU:5.4,wD:8.11,(6.67,8.47,;5.33,7.7,;4,8.47,;2.67,7.7,;1.33,8.47,;2.67,6.16,;4,5.39,;4,3.85,;2.67,3.08,;1.33,3.85,;1.33,5.39,;2.67,1.54,;4,.77,;4,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-1.33,-.77,;,-1.54,;,-3.08,;1.33,-3.85,;-1.33,-3.85,;-1.33,-5.39,;-2.67,-6.16,;-2.67,-7.7,;-1.33,-8.47,;-4,-8.47,;-5.33,-7.7,;-6.67,-8.47,;-5.33,-6.16,;-4,-5.39,;-4,-3.85,;1.33,-.77,;2.67,-1.54,)|
Show InChI InChI=1/C27H36ClN3O4/c1-6-31(21-10-8-19(9-11-21)27(34)35-7-2)24-14-20(28)13-22(18(24)5)25(32)29-15-23-16(3)12-17(4)30-26(23)33/h12-14,19,21H,6-11,15H2,1-5H3,(H,29,32)(H,30,33)/t19-,21-
PDB
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A687V)


(Homo sapiens (Human))
BDBM190208
PNG
(EPZ008630 | US9175331, 43)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1Cl |r,wU:3.2,wD:6.9,(-5.33,.77,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.33,-5.39,;-5.33,-3.85,;-4,-7.7,;-2.67,-8.47,;-5.33,-8.47,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,3.85,;,5.39,;1.33,6.16,;1.33,7.7,;,8.47,;2.67,8.47,;4,7.7,;5.33,8.47,;4,6.16,;2.67,5.39,;2.67,3.85,;-2.67,.77,;-4,1.54,)|
Show InChI InChI=1/C25H34BrClN4O2/c1-6-31(19-9-7-18(8-10-19)30(4)5)22-13-17(26)12-20(23(22)27)24(32)28-14-21-15(2)11-16(3)29-25(21)33/h11-13,18-19H,6-10,14H2,1-5H3,(H,28,32)(H,29,33)/t18-,19-
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Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A687V)


(Homo sapiens (Human))
BDBM190185
PNG
(EPZ007038 | US9175331, 11)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)nc2=O)c1C |r,wU:3.2,wD:6.9,(-5.33,4.23,;-5.33,2.69,;-4,1.93,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,-4.23,;-2.67,-5,;-5.33,-5,;-2.67,2.69,;-2.67,4.23,;-1.33,5,;-1.33,6.54,;,4.23,;,2.69,;1.33,1.93,;2.67,2.69,;1.33,.38,;2.67,-.38,;2.67,-1.93,;4,-2.69,;5.33,-1.93,;4,-4.23,;2.67,-5,;2.67,-6.54,;1.33,-4.23,;1.33,-2.69,;,-1.93,;-1.33,1.93,;-1.33,.38,)|
Show InChI InChI=1/C26H36ClN4O2/c1-7-31(21-10-8-20(9-11-21)30(5)6)24-14-19(27)13-22(18(24)4)25(32)28-15-23-16(2)12-17(3)29-26(23)33/h12-14,20-21H,7-11,15H2,1-6H3,(H,28,32)/t20-,21-
PDB

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UniChem
US Patent
n/an/a 3.20n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A687V)


(Homo sapiens (Human))
BDBM190184
PNG
(EPZ006632 | US9175331, 10)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)nc2=O)c1C)-c1ccc(CN2CCCN(C)CC2)cc1
Show InChI InChI=1S/C36H48N5O3/c1-6-41(31-12-18-44-19-13-31)34-22-30(29-10-8-28(9-11-29)24-40-15-7-14-39(5)16-17-40)21-32(27(34)4)35(42)37-23-33-25(2)20-26(3)38-36(33)43/h8-11,20-22,31H,6-7,12-19,23-24H2,1-5H3,(H,37,42)
PDB

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n/an/a 3.20n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM190218
PNG
(EPZ009153 | US9175331, 55)
Show SMILES CCOC(=O)[C@@H]1CC[C@@H](CC1)N(CC)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wD:5.4,8.11,(6.67,8.47,;5.33,7.7,;4,8.47,;2.67,7.7,;1.33,8.47,;2.67,6.16,;4,5.39,;4,3.85,;2.67,3.08,;1.33,3.85,;1.33,5.39,;2.67,1.54,;4,.77,;4,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-1.33,-.77,;,-1.54,;,-3.08,;1.33,-3.85,;-1.33,-3.85,;-1.33,-5.39,;-2.67,-6.16,;-2.67,-7.7,;-1.33,-8.47,;-4,-8.47,;-5.33,-7.7,;-6.67,-8.47,;-5.33,-6.16,;-4,-5.39,;-4,-3.85,;1.33,-.77,;2.67,-1.54,)|
Show InChI InChI=1/C27H36ClN3O4/c1-6-31(21-10-8-19(9-11-21)27(34)35-7-2)24-14-20(28)13-22(18(24)5)25(32)29-15-23-16(3)12-17(4)30-26(23)33/h12-14,19,21H,6-11,15H2,1-5H3,(H,29,32)(H,30,33)/t19-,21+
PDB
MMDB

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US Patent
n/an/a 3.20n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM190200
PNG
(EPZ008335 | US9175331, 30)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1CC |r,wU:3.2,wD:6.9,(-5.33,.77,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.33,-5.39,;-5.33,-3.85,;-4,-7.7,;-2.67,-8.47,;-5.33,-8.47,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,3.85,;,5.39,;1.33,6.16,;1.33,7.7,;,8.47,;2.67,8.47,;4,7.7,;5.33,8.47,;4,6.16,;2.67,5.39,;2.67,3.85,;-2.67,.77,;-4,1.54,;-4,3.08,)|
Show InChI InChI=1/C27H39ClN4O2/c1-7-22-23(26(33)29-16-24-17(3)13-18(4)30-27(24)34)14-19(28)15-25(22)32(8-2)21-11-9-20(10-12-21)31(5)6/h13-15,20-21H,7-12,16H2,1-6H3,(H,29,33)(H,30,34)/t20-,21-
PDB
MMDB

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n/an/a 3.30n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
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