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Compile Data Set for Download or QSAR

Found 62 hits Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase EZH2 (A687V)'   
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 [A687V]


(Homo sapiens (Human))
BDBM172176
PNG
(EPZ009161 | US10155002, Compound 184 | US11052093,...)
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 1.10n/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
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 [A687V]


(Homo sapiens (Human))
BDBM190183
PNG
(EPZ006438 | US11052093, Compound 139 | US9175331, ...)
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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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 [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,)|
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n/an/a 1.70n/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))
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,)|
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n/an/a 1.80n/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))
BDBM172138
PNG
(EPZ007428 | US10155002, Compound 145 | US11052093,...)
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,)|
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n/an/a 2.10n/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
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,)|
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n/an/a 2.40n/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
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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n/an/a 2.70n/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))
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,)|
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n/an/a 2.80n/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))
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,)|
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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,)|
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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))
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 3.20n/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))
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,)|
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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
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,)|
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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
Histone-lysine N-methyltransferase EZH2 [A687V]


(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,)|
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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
Histone-lysine N-methyltransferase EZH2 [A687V]


(Homo sapiens (Human))
BDBM172175
PNG
(EPZ009097 | US10155002, Compound 183 | US11052093,...)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(nc1)N1CCN(C)CC1
Show InChI InChI=1S/C35H48N6O3/c1-6-8-26-19-24(3)38-35(43)31(26)23-37-34(42)30-20-28(21-32(25(30)4)41(7-2)29-11-17-44-18-12-29)27-9-10-33(36-22-27)40-15-13-39(5)14-16-40/h9-10,19-22,29H,6-8,11-18,23H2,1-5H3,(H,37,42)(H,38,43)
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n/an/a 3.60n/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))
BDBM172135
PNG
(EPZ007210 | US10155002, Compound 141 | US11052093,...)
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,,)|
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n/an/a 3.60n/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))
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,)|
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n/an/a 3.70n/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))
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,)|
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n/an/a 3.80n/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))
BDBM172166
PNG
(EPZ008280 | US10155002, Compound 174 | US11052093,...)
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,)|
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n/an/a 3.90n/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 [A687V]


(Homo sapiens (Human))
BDBM190188
PNG
(EPZ007426 | US9175331, 15)
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#C |r,wU:3.2,wD:6.9,(-5.33,3.47,;-5.33,1.93,;-4,1.15,;-4,-.38,;-2.67,-1.15,;-2.67,-2.69,;-4,-3.47,;-5.33,-2.69,;-5.33,-1.15,;-4,-5,;-2.67,-5.78,;-5.33,-5.78,;-2.67,1.93,;-2.67,3.47,;-1.33,4.23,;,3.47,;,1.93,;1.33,1.15,;2.67,1.93,;1.33,-.38,;2.67,-1.15,;2.67,-2.69,;4,-3.47,;5.33,-2.69,;4,-5,;2.67,-5.78,;2.67,-7.31,;1.33,-5,;1.33,-3.47,;,-2.69,;-1.33,1.15,;-1.33,-.38,;-1.33,5.78,;-1.33,7.31,)|
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n/an/a 4n/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))
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,)|
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n/an/a 4.60n/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))
BDBM172174
PNG
(EPZ008681 | US10155002, Compound 182 | US11052093,...)
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,)|
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n/an/a 4.70n/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))
BDBM190194
PNG
(EPZ007789 | US9175331, 22)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)S(=O)(=O)CC |r,wU:3.2,wD:6.9,(-5.33,3.08,;-5.33,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-2.67,-3.08,;-4,-3.85,;-5.33,-3.08,;-5.33,-1.54,;-4,-5.39,;-2.67,-6.16,;-5.33,-6.16,;-2.67,1.54,;-2.67,3.08,;-1.33,3.85,;,3.08,;,1.54,;1.33,.77,;2.67,1.54,;1.33,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;5.33,-3.08,;4,-5.39,;2.67,-6.16,;2.67,-7.7,;1.33,-5.39,;1.33,-3.85,;,-3.08,;-1.33,.77,;-1.33,-.77,;-1.33,5.39,;.21,5.39,;-2.87,5.39,;-1.33,6.93,;,7.7,)|
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n/an/a 5.10n/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
Histone-lysine N-methyltransferase EZH2 [A687V]


(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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n/an/a 5.10n/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
Histone-lysine N-methyltransferase EZH2 [A687V]


(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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n/an/a 5.5n/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 [A687V]


(Homo sapiens (Human))
BDBM190195
PNG
(EPZ007790 | US9175331, 23)
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(C)C |r,wU:3.2,wD:6.9,(-5.33,3.85,;-5.33,2.31,;-4,1.54,;-4,,;-2.67,-.77,;-2.67,-2.31,;-4,-3.08,;-5.33,-2.31,;-5.33,-.77,;-4,-4.62,;-2.67,-5.39,;-5.33,-5.39,;-2.67,2.31,;-2.67,3.85,;-1.33,4.62,;,3.85,;,2.31,;1.33,1.54,;2.67,2.31,;1.33,,;2.67,-.77,;2.67,-2.31,;4,-3.08,;5.33,-2.31,;4,-4.62,;2.67,-5.39,;2.67,-6.93,;1.33,-4.62,;1.33,-3.08,;,-2.31,;-1.33,1.54,;-1.33,,;-1.33,6.16,;-2.67,6.93,;,6.93,)|
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n/an/a 6.5n/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 [A687V]


(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,)|
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n/an/a 6.70n/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))
BDBM190186
PNG
(EPZ007209 | US9175331, 12)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)n(C)c2=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,;,-5,;1.33,-2.69,;,-1.93,;-1.33,1.93,;-1.33,.38,)|
Show InChI InChI=1S/C27H39ClN4O2/c1-8-32(22-11-9-21(10-12-22)30(5)6)25-15-20(28)14-23(19(25)4)26(33)29-16-24-17(2)13-18(3)31(7)27(24)34/h13-15,21-22H,8-12,16H2,1-7H3,(H,29,33)/t21-,22-
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n/an/a 6.80n/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))
BDBM190189
PNG
(EPZ007478 | US9175331, 17)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C1CCC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wU:3.2,wD:6.9,(-6.67,.32,;-5.33,-.45,;-4,.32,;-2.67,-.45,;-1.33,.32,;,-.45,;,-1.99,;-1.33,-2.76,;-2.67,-1.99,;1.33,-2.76,;2.67,-1.99,;1.33,-4.3,;.24,-5.39,;1.33,-6.48,;2.42,-5.39,;-4,1.86,;-5.33,2.63,;-5.33,4.17,;-6.67,4.94,;-4,4.94,;-2.67,4.17,;-1.33,4.94,;-1.33,6.48,;,4.17,;1.33,4.94,;2.67,4.17,;4,4.94,;4,6.48,;5.33,4.17,;5.33,2.63,;6.67,1.86,;4,1.86,;2.67,2.63,;1.33,1.86,;-2.67,2.63,;-1.33,1.86,)|
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n/an/a 7.10n/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
Histone-lysine N-methyltransferase EZH2 [A687V]


(Homo sapiens (Human))
BDBM172167
PNG
(EPZ008338 | US10155002, Compound 175 | US11052093,...)
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,)|
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n/an/a 7.20n/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))
BDBM172170
PNG
(EPZ008592 | US10155002, Compound 178 | US11052093,...)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1Cl)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C33H41ClN4O4/c1-4-38(27-9-13-41-14-10-27)30-19-26(25-7-5-24(6-8-25)21-37-11-15-42-16-12-37)18-28(31(30)34)32(39)35-20-29-22(2)17-23(3)36-33(29)40/h5-8,17-19,27H,4,9-16,20-21H2,1-3H3,(H,35,39)(H,36,40)
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n/an/a 7.5n/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 [A687V]


(Homo sapiens (Human))
BDBM190207
PNG
(EPZ008496 | US9175331, 39)
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)C |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,;4.77,-1.75,;3.23,-4.41,)|
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n/an/a 7.60n/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))
BDBM190191
PNG
(EPZ007649 | US9175331, 19)
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(F)(F)F |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,;2.1,-.21,;.56,-2.87,)|
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n/an/a 8.20n/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))
BDBM50075051
PNG
(CHEMBL3360855 | EPZ005687 | US10273223, Compound C...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(cc3n(ncc23)C2CCCC2)-c2ccc(CN3CCOCC3)cc2)c(=O)[nH]1
Show InChI InChI=1S/C32H37N5O3/c1-21-15-22(2)35-32(39)28(21)18-33-31(38)27-16-25(17-30-29(27)19-34-37(30)26-5-3-4-6-26)24-9-7-23(8-10-24)20-36-11-13-40-14-12-36/h7-10,15-17,19,26H,3-6,11-14,18,20H2,1-2H3,(H,33,38)(H,35,39)
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n/an/a 8.20n/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))
BDBM172168
PNG
(EPZ008495 | US10155002, Compound 176 | US11052093,...)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C36H48N4O4/c1-5-7-29-20-25(3)38-36(42)33(29)23-37-35(41)32-21-30(22-34(26(32)4)40(6-2)31-12-16-43-17-13-31)28-10-8-27(9-11-28)24-39-14-18-44-19-15-39/h8-11,20-22,31H,5-7,12-19,23-24H2,1-4H3,(H,37,41)(H,38,42)
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n/an/a 8.40n/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
Histone-lysine N-methyltransferase EZH2 [A687V]


(Homo sapiens (Human))
BDBM190209
PNG
(EPZ008686 | US9175331, 45)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Br)c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |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,;-1.33,1.54,;-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,)|
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n/an/a 9.60n/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))
BDBM172165
PNG
(EPZ008205 | US10155002, Compound 173 | US11052093,...)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCNCC1
Show InChI InChI=1S/C32H42N6O3/c1-5-38(26-8-14-41-15-9-26)29-18-25(24-6-7-30(34-19-24)37-12-10-33-11-13-37)17-27(23(29)4)31(39)35-20-28-21(2)16-22(3)36-32(28)40/h6-7,16-19,26,33H,5,8-15,20H2,1-4H3,(H,35,39)(H,36,40)
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n/an/a 10.1n/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))
BDBM190193
PNG
(EPZ007692 | US9175331, 21)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(OC)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |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,;1.33,-3.08,;,.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,)|
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n/an/a 10.3n/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))
BDBM190187
PNG
(EPZ007227 | US9175331, 14)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)N(C)Cc2c(C)cc(C)[nH]c2=O)c1C |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,;1.33,3.08,;,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,)|
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n/an/a 12.8n/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))
BDBM190221
PNG
(EPZ009156 | US9175331, 58)
Show SMILES CCN([C@H]1CC[C@@H](CC1)C(=O)N1CCCC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wU:3.2,wD:6.9,(-2.67,-3.05,;-1.33,-3.82,;,-3.05,;1.33,-3.82,;2.67,-3.05,;4,-3.82,;4,-5.36,;2.67,-6.13,;1.33,-5.36,;5.33,-6.13,;6.67,-5.36,;5.33,-7.67,;4.09,-8.58,;4.56,-10.04,;6.1,-10.04,;6.58,-8.58,;,-1.51,;1.33,-.74,;1.33,.8,;2.67,1.57,;,1.57,;-1.33,.8,;-2.67,1.57,;-4,.8,;-2.67,3.11,;-4,3.88,;-4,5.42,;-5.33,6.19,;-6.67,5.42,;-5.33,7.73,;-4,8.5,;-4,10.04,;-2.67,7.73,;-2.67,6.19,;-1.33,5.42,;-1.33,-.74,;-2.67,-1.51,)|
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n/an/a 13.2n/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))
BDBM190192
PNG
(EPZ007655 | US9175331, 20)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cncc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |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,)|
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n/an/a 17.1n/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))
BDBM190224
PNG
(EPZ009162 | US9175331, 62)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)cc(N(CC)C2CCN(C)CC2)c1C
Show InChI InChI=1S/C26H37ClN4O2/c1-6-8-19-13-17(3)29-26(33)23(19)16-28-25(32)22-14-20(27)15-24(18(22)4)31(7-2)21-9-11-30(5)12-10-21/h13-15,21H,6-12,16H2,1-5H3,(H,28,32)(H,29,33)
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n/an/a 17.8n/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))
BDBM190197
PNG
(EPZ008278 | US9175331, 26)
Show SMILES CC(C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C30H36N6O2/c1-18(2)36-17-20(4)28-24(29(37)33-16-25-19(3)12-21(5)34-30(25)38)13-23(14-26(28)36)22-6-7-27(32-15-22)35-10-8-31-9-11-35/h6-7,12-15,17-18,31H,8-11,16H2,1-5H3,(H,33,37)(H,34,38)
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n/an/a 19.1n/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))
BDBM190212
PNG
(EPZ008991 | US9175331, 48)
Show SMILES CCN(C1CCC(C)(C)CC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
Show InChI InChI=1S/C26H36ClN3O2/c1-7-30(20-8-10-26(5,6)11-9-20)23-14-19(27)13-21(18(23)4)24(31)28-15-22-16(2)12-17(3)29-25(22)32/h12-14,20H,7-11,15H2,1-6H3,(H,28,31)(H,29,32)
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n/an/a 19.3n/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))
BDBM190214
PNG
(EPZ008994 | US9175331, 50)
Show SMILES CCN(C1CCN(CC1)C(C)C)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
Show InChI InChI=1S/C26H37ClN4O2/c1-7-31(21-8-10-30(11-9-21)16(2)3)24-14-20(27)13-22(19(24)6)25(32)28-15-23-17(4)12-18(5)29-26(23)33/h12-14,16,21H,7-11,15H2,1-6H3,(H,28,32)(H,29,33)
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n/an/a 20.5n/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 [A687V]


(Homo sapiens (Human))
BDBM190216
PNG
(EPZ009099 | US9175331, 53)
Show SMILES CCN(C1CN(C)C1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
Show InChI InChI=1S/C22H29ClN4O2/c1-6-27(17-11-26(5)12-17)20-9-16(23)8-18(15(20)4)21(28)24-10-19-13(2)7-14(3)25-22(19)29/h7-9,17H,6,10-12H2,1-5H3,(H,24,28)(H,25,29)
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n/an/a 22.2n/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))
BDBM190215
PNG
(EPZ009090 | US9175331, 51)
Show SMILES CCN(C1CCC(CC1)C(C)C)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |(-5.33,4.23,;-5.33,2.69,;-4,1.93,;-4,.38,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,-4.23,;-5.33,-5,;-2.67,-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=1S/C27H38ClN3O2/c1-7-31(22-10-8-20(9-11-22)16(2)3)25-14-21(28)13-23(19(25)6)26(32)29-15-24-17(4)12-18(5)30-27(24)33/h12-14,16,20,22H,7-11,15H2,1-6H3,(H,29,32)(H,30,33)
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n/an/a 22.7n/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))
BDBM190182
PNG
(EPZ006089 | US9175331, 8)
Show SMILES CN(C1CCCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1=CC(C)(C)NC(C)(C)C1 |t:30|
Show InChI InChI=1S/C31H44N4O2/c1-19-13-20(2)33-29(37)26(19)18-32-28(36)25-14-22(23-16-30(4,5)34-31(6,7)17-23)15-27(21(25)3)35(8)24-11-9-10-12-24/h13-16,24,34H,9-12,17-18H2,1-8H3,(H,32,36)(H,33,37)
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n/an/a 27.7n/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))
BDBM190222
PNG
(EPZ009157 | US9175331, 59)
Show SMILES CCN([C@H]1CC[C@H](CC1)C(=O)N1CCCC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wU:3.2,6.9,(-2.67,-3.05,;-1.33,-3.82,;,-3.05,;1.33,-3.82,;2.67,-3.05,;4,-3.82,;4,-5.36,;2.67,-6.13,;1.33,-5.36,;5.33,-6.13,;6.67,-5.36,;5.33,-7.67,;4.09,-8.58,;4.56,-10.04,;6.1,-10.04,;6.58,-8.58,;,-1.51,;1.33,-.74,;1.33,.8,;2.67,1.57,;,1.57,;-1.33,.8,;-2.67,1.57,;-4,.8,;-2.67,3.11,;-4,3.88,;-4,5.42,;-5.33,6.19,;-6.67,5.42,;-5.33,7.73,;-4,8.5,;-4,10.04,;-2.67,7.73,;-2.67,6.19,;-1.33,5.42,;-1.33,-.74,;-2.67,-1.51,)|
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n/an/a 43.6n/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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