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Compile Data Set for Download or QSAR

Found 432 hits Enz. Inhib. hit(s) with Target = 'EZH2(Y641F)'   
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
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172085
PNG
(US10155002, Compound 91 | US9090562, 91)
Show SMILES CCNCc1ccc(cc1)-c1cc(N(CC)C2CCOCC2)c(C)c(c1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C32H42N4O3/c1-6-33-19-24-8-10-25(11-9-24)26-17-28(31(37)34-20-29-21(3)16-22(4)35-32(29)38)23(5)30(18-26)36(7-2)27-12-14-39-15-13-27/h8-11,16-18,27,33H,6-7,12-15,19-20H2,1-5H3,(H,34,37)(H,35,38)
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n/an/a 0.520n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172085
PNG
(US10155002, Compound 91 | US9090562, 91)
Show SMILES CCNCc1ccc(cc1)-c1cc(N(CC)C2CCOCC2)c(C)c(c1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C32H42N4O3/c1-6-33-19-24-8-10-25(11-9-24)26-17-28(31(37)34-20-29-21(3)16-22(4)35-32(29)38)23(5)30(18-26)36(7-2)27-12-14-39-15-13-27/h8-11,16-18,27,33H,6-7,12-15,19-20H2,1-5H3,(H,34,37)(H,35,38)
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n/an/a 0.520n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172163
PNG
(US10155002, Compound 171 | US9090562, 171)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCN(C)CC1
Show InChI InChI=1S/C33H44N6O3/c1-6-39(27-9-15-42-16-10-27)30-19-26(25-7-8-31(34-20-25)38-13-11-37(5)12-14-38)18-28(24(30)4)32(40)35-21-29-22(2)17-23(3)36-33(29)41/h7-8,17-20,27H,6,9-16,21H2,1-5H3,(H,35,40)(H,36,41)
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n/an/a 0.760n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172163
PNG
(US10155002, Compound 171 | US9090562, 171)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCN(C)CC1
Show InChI InChI=1S/C33H44N6O3/c1-6-39(27-9-15-42-16-10-27)30-19-26(25-7-8-31(34-20-25)38-13-11-37(5)12-14-38)18-28(24(30)4)32(40)35-21-29-22(2)17-23(3)36-33(29)41/h7-8,17-20,27H,6,9-16,21H2,1-5H3,(H,35,40)(H,36,41)
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n/an/a 0.760n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172087
PNG
(US10155002, Compound 93 | US9090562, 93)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNCC2CC2)cc1
Show InChI InChI=1S/C34H44N4O3/c1-5-38(29-12-14-41-15-13-29)32-18-28(27-10-8-26(9-11-27)20-35-19-25-6-7-25)17-30(24(32)4)33(39)36-21-31-22(2)16-23(3)37-34(31)40/h8-11,16-18,25,29,35H,5-7,12-15,19-21H2,1-4H3,(H,36,39)(H,37,40)
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n/an/a 0.870n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172087
PNG
(US10155002, Compound 93 | US9090562, 93)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNCC2CC2)cc1
Show InChI InChI=1S/C34H44N4O3/c1-5-38(29-12-14-41-15-13-29)32-18-28(27-10-8-26(9-11-27)20-35-19-25-6-7-25)17-30(24(32)4)33(39)36-21-31-22(2)16-23(3)37-34(31)40/h8-11,16-18,25,29,35H,5-7,12-15,19-21H2,1-4H3,(H,36,39)(H,37,40)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM310800
PNG
(US10150764, Compound 86)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c(OC)n(C)[nH]c2=O)c1C |r,wU:6.9,wD:3.2,(-2.82,.13,;-2.82,1.67,;-1.48,2.44,;-1.48,3.98,;-.15,4.75,;-.15,6.29,;-1.48,7.06,;-2.82,6.29,;-2.82,4.75,;-1.48,8.6,;-.15,9.37,;-2.82,9.37,;-.15,1.67,;1.18,2.44,;2.52,1.67,;3.85,2.44,;2.52,.13,;1.18,-.64,;1.18,-2.18,;2.52,-2.95,;-.15,-2.95,;-.15,-4.49,;-1.48,-5.26,;-1.48,-6.8,;-.39,-7.89,;-.79,-9.37,;-2.95,-7.27,;-3.72,-8.61,;-3.85,-6.03,;-2.95,-4.78,;-3.72,-3.45,;-.15,.13,;-1.48,-.64,)|
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Epizyme, Inc.

US Patent




US Patent US10150764 (2018)


BindingDB Entry DOI: 10.7270/Q27H1MPR
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172080
PNG
(US10155002, Compound 86 | US9090562, 86)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCCNCC2)cc1
Show InChI InChI=1S/C35H47N5O3/c1-5-40(30-11-17-43-18-12-30)33-21-29(28-9-7-27(8-10-28)23-39-15-6-13-36-14-16-39)20-31(26(33)4)34(41)37-22-32-24(2)19-25(3)38-35(32)42/h7-10,19-21,30,36H,5-6,11-18,22-23H2,1-4H3,(H,37,41)(H,38,42)
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n/an/a 1.12n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172080
PNG
(US10155002, Compound 86 | US9090562, 86)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCCNCC2)cc1
Show InChI InChI=1S/C35H47N5O3/c1-5-40(30-11-17-43-18-12-30)33-21-29(28-9-7-27(8-10-28)23-39-15-6-13-36-14-16-39)20-31(26(33)4)34(41)37-22-32-24(2)19-25(3)38-35(32)42/h7-10,19-21,30,36H,5-6,11-18,22-23H2,1-4H3,(H,37,41)(H,38,42)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
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
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
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
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172089
PNG
(US10155002, Compound 95 | US9090562, 95)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNC[C@@H](O)CO)cc1 |r|
Show InChI InChI=1/C33H44N4O5/c1-5-37(27-10-12-42-13-11-27)31-16-26(25-8-6-24(7-9-25)17-34-18-28(39)20-38)15-29(23(31)4)32(40)35-19-30-21(2)14-22(3)36-33(30)41/h6-9,14-16,27-28,34,38-39H,5,10-13,17-20H2,1-4H3,(H,35,40)(H,36,41)/t28-/s2
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Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172089
PNG
(US10155002, Compound 95 | US9090562, 95)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNC[C@@H](O)CO)cc1 |r|
Show InChI InChI=1/C33H44N4O5/c1-5-37(27-10-12-42-13-11-27)31-16-26(25-8-6-24(7-9-25)17-34-18-28(39)20-38)15-29(23(31)4)32(40)35-19-30-21(2)14-22(3)36-33(30)41/h6-9,14-16,27-28,34,38-39H,5,10-13,17-20H2,1-4H3,(H,35,40)(H,36,41)/t28-/s2
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
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
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172162
PNG
(US10155002, Compound 170 | US9090562, 170)
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(nc1)N1CCN(C)CC1 |r,wU:3.2,wD:6.9,(3.47,8,;2.69,6.67,;3.47,5.33,;5,5.33,;5.78,6.67,;7.31,6.67,;8.08,5.33,;7.31,4,;5.78,4,;9.63,5.33,;10.39,6.67,;10.39,4,;2.69,4,;1.15,4,;.38,2.67,;1.15,1.33,;2.69,1.33,;3.47,,;5,,;2.69,-1.33,;3.47,-2.67,;2.69,-4,;3.47,-5.33,;5,-5.33,;2.69,-6.67,;1.15,-6.67,;.38,-8,;.38,-5.33,;1.15,-4,;.38,-2.67,;3.47,2.67,;5,2.67,;-1.15,2.67,;-1.93,4,;-3.47,4,;-4.23,2.67,;-3.47,1.33,;-1.93,1.33,;-5.78,2.67,;-6.54,4,;-8.08,4,;-8.85,2.67,;-10.39,2.67,;-8.08,1.33,;-6.54,1.33,)|
Show InChI InChI=1/C36H51N7O2/c1-8-43(30-12-10-29(11-13-30)40(5)6)33-21-28(27-9-14-34(37-22-27)42-17-15-41(7)16-18-42)20-31(26(33)4)35(44)38-23-32-24(2)19-25(3)39-36(32)45/h9,14,19-22,29-30H,8,10-13,15-18,23H2,1-7H3,(H,38,44)(H,39,45)/t29-,30-
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n/an/a 1.63n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172162
PNG
(US10155002, Compound 170 | US9090562, 170)
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(nc1)N1CCN(C)CC1 |r,wU:3.2,wD:6.9,(3.47,8,;2.69,6.67,;3.47,5.33,;5,5.33,;5.78,6.67,;7.31,6.67,;8.08,5.33,;7.31,4,;5.78,4,;9.63,5.33,;10.39,6.67,;10.39,4,;2.69,4,;1.15,4,;.38,2.67,;1.15,1.33,;2.69,1.33,;3.47,,;5,,;2.69,-1.33,;3.47,-2.67,;2.69,-4,;3.47,-5.33,;5,-5.33,;2.69,-6.67,;1.15,-6.67,;.38,-8,;.38,-5.33,;1.15,-4,;.38,-2.67,;3.47,2.67,;5,2.67,;-1.15,2.67,;-1.93,4,;-3.47,4,;-4.23,2.67,;-3.47,1.33,;-1.93,1.33,;-5.78,2.67,;-6.54,4,;-8.08,4,;-8.85,2.67,;-10.39,2.67,;-8.08,1.33,;-6.54,1.33,)|
Show InChI InChI=1/C36H51N7O2/c1-8-43(30-12-10-29(11-13-30)40(5)6)33-21-28(27-9-14-34(37-22-27)42-17-15-41(7)16-18-42)20-31(26(33)4)35(44)38-23-32-24(2)19-25(3)39-36(32)45/h9,14,19-22,29-30H,8,10-13,15-18,23H2,1-7H3,(H,38,44)(H,39,45)/t29-,30-
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Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172181
PNG
(US10155002, Compound 189 | US9090562, 189)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(nc1)N1CCN(CC1)C1CCN(C)CC1
Show InChI InChI=1S/C40H57N7O3/c1-6-8-30-23-28(3)43-40(49)36(30)27-42-39(48)35-24-32(25-37(29(35)4)47(7-2)34-13-21-50-22-14-34)31-9-10-38(41-26-31)46-19-17-45(18-20-46)33-11-15-44(5)16-12-33/h9-10,23-26,33-34H,6-8,11-22,27H2,1-5H3,(H,42,48)(H,43,49)
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Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172181
PNG
(US10155002, Compound 189 | US9090562, 189)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(nc1)N1CCN(CC1)C1CCN(C)CC1
Show InChI InChI=1S/C40H57N7O3/c1-6-8-30-23-28(3)43-40(49)36(30)27-42-39(48)35-24-32(25-37(29(35)4)47(7-2)34-13-21-50-22-14-34)31-9-10-38(41-26-31)46-19-17-45(18-20-46)33-11-15-44(5)16-12-33/h9-10,23-26,33-34H,6-8,11-22,27H2,1-5H3,(H,42,48)(H,43,49)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172135
PNG
(EPZ007210 | US10155002, Compound 141 | US9090562, ...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)nc2=O)c1C)-c1ccc(CN2CCOCC2)cc1 |r,wU:3.2,wD:6.9,(4.23,-2.67,;3.47,-1.33,;1.93,-1.33,;1.15,-2.67,;1.93,-4,;1.15,-5.33,;-.38,-5.33,;-1.15,-4,;-.38,-2.67,;-1.15,-6.67,;-.39,-8,;-2.69,-6.67,;1.15,,;-.38,,;-1.15,1.33,;-.38,2.67,;1.15,2.67,;1.93,4,;1.15,5.33,;3.47,4,;4.23,5.33,;5.78,5.33,;6.54,6.67,;5.78,8,;8.08,6.67,;8.85,5.33,;10.39,5.33,;8.08,4,;6.54,4,;5.78,2.67,;1.93,1.33,;3.47,1.33,;-2.69,1.33,;-3.47,2.67,;-5,2.67,;-5.78,1.33,;-7.31,1.33,;-8.08,2.67,;-7.32,4,;-8.08,5.33,;-9.63,5.33,;-10.39,4,;-9.63,2.67,;-5,,;-3.47,,)|
Show InChI InChI=1/C37H50N5O3/c1-7-42(32-14-12-31(13-15-32)40(5)6)35-22-30(29-10-8-28(9-11-29)24-41-16-18-45-19-17-41)21-33(27(35)4)36(43)38-23-34-25(2)20-26(3)39-37(34)44/h8-11,20-22,31-32H,7,12-19,23-24H2,1-6H3,(H,38,43)/t31-,32-
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n/an/a 1.95n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172135
PNG
(EPZ007210 | US10155002, Compound 141 | US9090562, ...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)nc2=O)c1C)-c1ccc(CN2CCOCC2)cc1 |r,wU:3.2,wD:6.9,(4.23,-2.67,;3.47,-1.33,;1.93,-1.33,;1.15,-2.67,;1.93,-4,;1.15,-5.33,;-.38,-5.33,;-1.15,-4,;-.38,-2.67,;-1.15,-6.67,;-.39,-8,;-2.69,-6.67,;1.15,,;-.38,,;-1.15,1.33,;-.38,2.67,;1.15,2.67,;1.93,4,;1.15,5.33,;3.47,4,;4.23,5.33,;5.78,5.33,;6.54,6.67,;5.78,8,;8.08,6.67,;8.85,5.33,;10.39,5.33,;8.08,4,;6.54,4,;5.78,2.67,;1.93,1.33,;3.47,1.33,;-2.69,1.33,;-3.47,2.67,;-5,2.67,;-5.78,1.33,;-7.31,1.33,;-8.08,2.67,;-7.32,4,;-8.08,5.33,;-9.63,5.33,;-10.39,4,;-9.63,2.67,;-5,,;-3.47,,)|
Show InChI InChI=1/C37H50N5O3/c1-7-42(32-14-12-31(13-15-32)40(5)6)35-22-30(29-10-8-28(9-11-29)24-41-16-18-45-19-17-41)21-33(27(35)4)36(43)38-23-34-25(2)20-26(3)39-37(34)44/h8-11,20-22,31-32H,7,12-19,23-24H2,1-6H3,(H,38,43)/t31-,32-
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Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172088
PNG
(US10155002, Compound 94 | US9090562, 94)
Show SMILES CCN(CC)Cc1ccc(cc1)-c1cc(N(CC)C2CCOCC2)c(C)c(c1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C34H46N4O3/c1-7-37(8-2)22-26-10-12-27(13-11-26)28-19-30(33(39)35-21-31-23(4)18-24(5)36-34(31)40)25(6)32(20-28)38(9-3)29-14-16-41-17-15-29/h10-13,18-20,29H,7-9,14-17,21-22H2,1-6H3,(H,35,39)(H,36,40)
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Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172088
PNG
(US10155002, Compound 94 | US9090562, 94)
Show SMILES CCN(CC)Cc1ccc(cc1)-c1cc(N(CC)C2CCOCC2)c(C)c(c1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C34H46N4O3/c1-7-37(8-2)22-26-10-12-27(13-11-26)28-19-30(33(39)35-21-31-23(4)18-24(5)36-34(31)40)25(6)32(20-28)38(9-3)29-14-16-41-17-15-29/h10-13,18-20,29H,7-9,14-17,21-22H2,1-6H3,(H,35,39)(H,36,40)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172065
PNG
(US10155002, Compound 71 | US9090562, 71)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CC[C@@H](O)C2)cc1 |r|
Show InChI InChI=1/C34H44N4O4/c1-5-38(28-11-14-42-15-12-28)32-18-27(26-8-6-25(7-9-26)20-37-13-10-29(39)21-37)17-30(24(32)4)33(40)35-19-31-22(2)16-23(3)36-34(31)41/h6-9,16-18,28-29,39H,5,10-15,19-21H2,1-4H3,(H,35,40)(H,36,41)/t29-/s2
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Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172065
PNG
(US10155002, Compound 71 | US9090562, 71)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CC[C@@H](O)C2)cc1 |r|
Show InChI InChI=1/C34H44N4O4/c1-5-38(28-11-14-42-15-12-28)32-18-27(26-8-6-25(7-9-26)20-37-13-10-29(39)21-37)17-30(24(32)4)33(40)35-19-31-22(2)16-23(3)36-34(31)41/h6-9,16-18,28-29,39H,5,10-15,19-21H2,1-4H3,(H,35,40)(H,36,41)/t29-/s2
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n/an/a 2.19n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172173
PNG
(US10155002, Compound 181 | US9090562, 181)
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)N1CCC1 |r,wU:3.2,wD:6.9,(2.28,8,;1.51,6.67,;2.28,5.33,;3.82,5.33,;4.59,6.67,;6.13,6.67,;6.9,5.33,;6.13,4,;4.59,4,;8.44,5.33,;9.21,4,;9.21,6.67,;1.51,4,;-.03,4,;-.8,2.67,;-.03,1.33,;1.51,1.33,;2.28,,;3.82,,;1.51,-1.33,;2.28,-2.67,;1.51,-4,;2.28,-5.33,;3.82,-5.33,;1.51,-6.67,;-.03,-6.67,;-.8,-8,;-.8,-5.33,;-.03,-4,;-.8,-2.67,;2.28,2.67,;3.82,2.67,;-2.34,2.67,;-3.11,4,;-4.65,4,;-5.42,2.67,;-4.65,1.33,;-3.11,1.33,;-6.96,2.67,;-7.73,1.33,;-7.73,4,;-7.33,5.49,;-8.82,5.89,;-9.21,4.4,)|
Show InChI InChI=1/C36H47N5O3/c1-7-41(30-15-13-29(14-16-30)39(5)6)33-21-28(26-9-11-27(12-10-26)36(44)40-17-8-18-40)20-31(25(33)4)34(42)37-22-32-23(2)19-24(3)38-35(32)43/h9-12,19-21,29-30H,7-8,13-18,22H2,1-6H3,(H,37,42)(H,38,43)/t29-,30-
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n/an/a 2.23n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172173
PNG
(US10155002, Compound 181 | US9090562, 181)
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)N1CCC1 |r,wU:3.2,wD:6.9,(2.28,8,;1.51,6.67,;2.28,5.33,;3.82,5.33,;4.59,6.67,;6.13,6.67,;6.9,5.33,;6.13,4,;4.59,4,;8.44,5.33,;9.21,4,;9.21,6.67,;1.51,4,;-.03,4,;-.8,2.67,;-.03,1.33,;1.51,1.33,;2.28,,;3.82,,;1.51,-1.33,;2.28,-2.67,;1.51,-4,;2.28,-5.33,;3.82,-5.33,;1.51,-6.67,;-.03,-6.67,;-.8,-8,;-.8,-5.33,;-.03,-4,;-.8,-2.67,;2.28,2.67,;3.82,2.67,;-2.34,2.67,;-3.11,4,;-4.65,4,;-5.42,2.67,;-4.65,1.33,;-3.11,1.33,;-6.96,2.67,;-7.73,1.33,;-7.73,4,;-7.33,5.49,;-8.82,5.89,;-9.21,4.4,)|
Show InChI InChI=1/C36H47N5O3/c1-7-41(30-15-13-29(14-16-30)39(5)6)33-21-28(26-9-11-27(12-10-26)36(44)40-17-8-18-40)20-31(25(33)4)34(42)37-22-32-23(2)19-24(3)38-35(32)43/h9-12,19-21,29-30H,7-8,13-18,22H2,1-6H3,(H,37,42)(H,38,43)/t29-,30-
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Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
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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n/an/a 2.5n/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
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172093
PNG
(US10155002, Compound 99 | US9090562, 99)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNCCCO)cc1
Show InChI InChI=1S/C33H44N4O4/c1-5-37(28-11-15-41-16-12-28)31-19-27(26-9-7-25(8-10-26)20-34-13-6-14-38)18-29(24(31)4)32(39)35-21-30-22(2)17-23(3)36-33(30)40/h7-10,17-19,28,34,38H,5-6,11-16,20-21H2,1-4H3,(H,35,39)(H,36,40)
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Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172093
PNG
(US10155002, Compound 99 | US9090562, 99)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNCCCO)cc1
Show InChI InChI=1S/C33H44N4O4/c1-5-37(28-11-15-41-16-12-28)31-19-27(26-9-7-25(8-10-26)20-34-13-6-14-38)18-29(24(31)4)32(39)35-21-30-22(2)17-23(3)36-33(30)40/h7-10,17-19,28,34,38H,5-6,11-16,20-21H2,1-4H3,(H,35,39)(H,36,40)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172063
PNG
(US10155002, Compound 69 | US9090562, 69)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C34H44N4O3/c1-5-38(29-12-16-41-17-13-29)32-20-28(27-10-8-26(9-11-27)22-37-14-6-7-15-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h8-11,18-20,29H,5-7,12-17,21-22H2,1-4H3,(H,35,39)(H,36,40)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172063
PNG
(US10155002, Compound 69 | US9090562, 69)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C34H44N4O3/c1-5-38(29-12-16-41-17-13-29)32-20-28(27-10-8-26(9-11-27)22-37-14-6-7-15-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h8-11,18-20,29H,5-7,12-17,21-22H2,1-4H3,(H,35,39)(H,36,40)
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Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172161
PNG
(US10155002, Compound 169 | US9090562, 169)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1nccn1C |r,wU:3.2,wD:6.9,(-2,4.65,;-3.33,3.88,;-3.33,2.34,;-4.67,1.57,;-4.67,.03,;-6,-.74,;-7.34,.03,;-7.34,1.57,;-6,2.34,;-8.67,-.74,;-10,.03,;-8.67,-2.28,;-2,1.57,;-2,.03,;-.67,-.74,;.67,.03,;.67,1.57,;2,2.34,;2,3.88,;3.33,1.57,;4.67,2.34,;6,1.57,;7.34,2.34,;7.34,3.88,;8.67,1.57,;8.67,.03,;10,-.74,;7.34,-.74,;6,.03,;4.67,-.74,;-.67,2.34,;-.67,3.88,;-.67,-2.28,;.58,-3.19,;.1,-4.65,;-1.44,-4.65,;-1.91,-3.19,;-3.25,-2.42,)|
Show InChI InChI=1/C30H42N6O2/c1-8-36(24-11-9-23(10-12-24)34(5)6)27-17-22(28-31-13-14-35(28)7)16-25(21(27)4)29(37)32-18-26-19(2)15-20(3)33-30(26)38/h13-17,23-24H,8-12,18H2,1-7H3,(H,32,37)(H,33,38)/t23-,24-
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Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172161
PNG
(US10155002, Compound 169 | US9090562, 169)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1nccn1C |r,wU:3.2,wD:6.9,(-2,4.65,;-3.33,3.88,;-3.33,2.34,;-4.67,1.57,;-4.67,.03,;-6,-.74,;-7.34,.03,;-7.34,1.57,;-6,2.34,;-8.67,-.74,;-10,.03,;-8.67,-2.28,;-2,1.57,;-2,.03,;-.67,-.74,;.67,.03,;.67,1.57,;2,2.34,;2,3.88,;3.33,1.57,;4.67,2.34,;6,1.57,;7.34,2.34,;7.34,3.88,;8.67,1.57,;8.67,.03,;10,-.74,;7.34,-.74,;6,.03,;4.67,-.74,;-.67,2.34,;-.67,3.88,;-.67,-2.28,;.58,-3.19,;.1,-4.65,;-1.44,-4.65,;-1.91,-3.19,;-3.25,-2.42,)|
Show InChI InChI=1/C30H42N6O2/c1-8-36(24-11-9-23(10-12-24)34(5)6)27-17-22(28-31-13-14-35(28)7)16-25(21(27)4)29(37)32-18-26-19(2)15-20(3)33-30(26)38/h13-17,23-24H,8-12,18H2,1-7H3,(H,32,37)(H,33,38)/t23-,24-
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172076
PNG
(US10155002, Compound 82 | US9090562, 82)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCC2)cc1
Show InChI InChI=1S/C33H42N4O3/c1-5-37(28-11-15-40-16-12-28)31-19-27(26-9-7-25(8-10-26)21-36-13-6-14-36)18-29(24(31)4)32(38)34-20-30-22(2)17-23(3)35-33(30)39/h7-10,17-19,28H,5-6,11-16,20-21H2,1-4H3,(H,34,38)(H,35,39)
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Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172076
PNG
(US10155002, Compound 82 | US9090562, 82)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCC2)cc1
Show InChI InChI=1S/C33H42N4O3/c1-5-37(28-11-15-40-16-12-28)31-19-27(26-9-7-25(8-10-26)21-36-13-6-14-36)18-29(24(31)4)32(38)34-20-30-22(2)17-23(3)35-33(30)39/h7-10,17-19,28H,5-6,11-16,20-21H2,1-4H3,(H,34,38)(H,35,39)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172183
PNG
(US10155002, Compound 191 | US9090562, 191)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(CN2CCOCC2)nc1
Show InChI InChI=1S/C35H47N5O4/c1-5-7-26-18-24(3)38-35(42)32(26)22-37-34(41)31-19-28(20-33(25(31)4)40(6-2)30-10-14-43-15-11-30)27-8-9-29(36-21-27)23-39-12-16-44-17-13-39/h8-9,18-21,30H,5-7,10-17,22-23H2,1-4H3,(H,37,41)(H,38,42)
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Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172183
PNG
(US10155002, Compound 191 | US9090562, 191)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(CN2CCOCC2)nc1
Show InChI InChI=1S/C35H47N5O4/c1-5-7-26-18-24(3)38-35(42)32(26)22-37-34(41)31-19-28(20-33(25(31)4)40(6-2)30-10-14-43-15-11-30)27-8-9-29(36-21-27)23-39-12-16-44-17-13-39/h8-9,18-21,30H,5-7,10-17,22-23H2,1-4H3,(H,37,41)(H,38,42)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
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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Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
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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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
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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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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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
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172091
PNG
(US10155002, Compound 97 | US9090562, 97)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN(C)CC2CC2)cc1
Show InChI InChI=1S/C35H46N4O3/c1-6-39(30-13-15-42-16-14-30)33-19-29(28-11-9-27(10-12-28)22-38(5)21-26-7-8-26)18-31(25(33)4)34(40)36-20-32-23(2)17-24(3)37-35(32)41/h9-12,17-19,26,30H,6-8,13-16,20-22H2,1-5H3,(H,36,40)(H,37,41)
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n/an/a 2.96n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172091
PNG
(US10155002, Compound 97 | US9090562, 97)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN(C)CC2CC2)cc1
Show InChI InChI=1S/C35H46N4O3/c1-6-39(30-13-15-42-16-14-30)33-19-29(28-11-9-27(10-12-28)22-38(5)21-26-7-8-26)18-31(25(33)4)34(40)36-20-32-23(2)17-24(3)37-35(32)41/h9-12,17-19,26,30H,6-8,13-16,20-22H2,1-5H3,(H,36,40)(H,37,41)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
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-
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n/an/a 3.10n/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+
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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))
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 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
EZH2(Y641F)


(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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n/an/a 3.40n/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))
BDBM172069
PNG
(US10155002, Compound 75 | US9090562, 75)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C35H46N4O3/c1-5-39(30-13-17-42-18-14-30)33-21-29(28-11-9-27(10-12-28)23-38-15-7-6-8-16-38)20-31(26(33)4)34(40)36-22-32-24(2)19-25(3)37-35(32)41/h9-12,19-21,30H,5-8,13-18,22-23H2,1-4H3,(H,36,40)(H,37,41)
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n/an/a 3.48n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172069
PNG
(US10155002, Compound 75 | US9090562, 75)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C35H46N4O3/c1-5-39(30-13-17-42-18-14-30)33-21-29(28-11-9-27(10-12-28)23-38-15-7-6-8-16-38)20-31(26(33)4)34(40)36-22-32-24(2)19-25(3)37-35(32)41/h9-12,19-21,30H,5-8,13-18,22-23H2,1-4H3,(H,36,40)(H,37,41)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
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