| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L019101
BDB019101
|
8-(2-(Difluoromethyl)pyridin-3-yl)-5-(((5-fluoro-
N#Cc1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnc3C(F)F)c12
|
C22H15F3N6O 436.397000 |
LFTRNDNTKBGXCT-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451043; PubChem:CID139346330
|
Local ready
Direct docking supported
|
|
E3L019102
BDB019102
|
US10676479, Example 74
N#Cc1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnc3)c12
|
C21H15FN6O 386.390000 |
PTTBRTCFZQRRTL-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451044; PubChem:CID139346237
|
Local ready
Direct docking supported
|
|
E3L019103
BDB019103
|
US10676479, Example 75
Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C#N)c23)c(C)n1
|
C23H19FN6O 414.444000 |
GQQMURQMEZJXMA-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451045; PubChem:CID139346273
|
Local ready
Direct docking supported
|
|
E3L019104
BDB019104
|
US10676479, Example 76
CC(c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C#N)c23)cc1)N1CCCC1
|
C28H27FN6O 482.563000 |
KUSODWXIHYMVMQ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451046; PubChem:CID139346222
|
Local ready
Direct docking supported
|
|
E3L019105
BDB019105
|
US10676479, Example 77
COc1cnc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C#N)c23)c(C)c1
|
C23H19FN6O2 430.443000 |
ZSWAHRFSJOAHGN-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451047; PubChem:CID139356479
|
Local ready
Direct docking supported
|
|
E3L019106
BDB019106
|
US10676479, Example 78
N#Cc1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnc3CO)c12
|
C22H17FN6O2 416.416000 |
ZSHHZNJRMAKUIK-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451048; PubChem:CID139346166
|
Local ready
Direct docking supported
|
|
E3L019107
BDB019107
|
US10676479, Example 79
CS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C#N)c23)cn1
|
C22H17FN6O3S 464.482000 |
FZGJUUQXBJOLLZ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451049; PubChem:CID139346156
|
Local ready
Direct docking supported
|
|
E3L019108
BDB019108
|
US10676479, Example 80
CCC(O)c1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C#N)c23)c(C)n1
|
C24H22FN7O2 459.485000 |
ISMVKBKKWVUXRX-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451050; PubChem:CID139346162
|
Local ready
Direct docking supported
|
|
E3L019109
BDB019109
|
US10676479, Example 81
CCN1CCN(c2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cnc(C#N)c34)cn2)CC1
|
C27H27FN8O 498.566000 |
VAISVTUAPAKOSV-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451051; PubChem:CID139346231
|
Local ready
Direct docking supported
|
|
E3L019110
BDB019110
|
US10676479, Example 82
N#Cc1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N4CCOCC4)nc3)c12
|
C25H22FN7O2 471.496000 |
MYAQSXVDXIGHBQ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451052; PubChem:CID139346195
|
Local ready
Direct docking supported
|
|
E3L019111
BDB019111
|
8-(2-(3,5-Dimethylpiperazin-1-yl)-4-
Cc1nc(N2CC(C)NC(C)C2)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(C#N)c12
|
C27H28FN9O 513.581000 |
ZGCGVCMUJCQTAY-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451053; PubChem:CID139346228
|
Local ready
Direct docking supported
|
|
E3L019112
BDB019112
|
US10676479, Example 84
Cc1nc(N2CCOCC2)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(C#N)c12
|
C25H23FN8O2 486.511000 |
QNVHIEQAKJZCLP-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451054; PubChem:CID139346229
|
Local ready
Direct docking supported
|
|
E3L019113
BDB019113
|
US10676479, Example 85
Cn1cncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(C#N)c12
|
C20H16FN7O 389.394000 |
SWCUAUVZXOKFQG-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451055; PubChem:CID139346203
|
Local ready
Direct docking supported
|
|
E3L019114
BDB019114
|
US10676479, Example 86
N#Cc1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N4CCNCC4)nc3)c12
|
C25H23FN8O 470.512000 |
IFVFSVNBFOUDSB-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451056; PubChem:CID139346196
|
Local ready
Direct docking supported
|
|
E3L019115
BDB019115
|
US10676479, Example 87
CC(=O)N1CCN(c2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cnc(C#N)c34)cn2)CC1
|
C27H25FN8O2 512.549000 |
ZUUHBEUUSFAXQX-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451057; PubChem:CID139346169
|
Local ready
Direct docking supported
|
|
E3L019116
BDB019116
|
US10676479, Example 88
Cc1nn(CCO)c(C)c1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(C#N)c12
|
C23H22FN7O2 447.474000 |
AWOMROMVFXGIAA-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451058; PubChem:CID139346223
|
Local ready
Direct docking supported
|
|
E3L019117
BDB019117
|
5-((2,4-Difluoro-5-methoxybenzyl)amino)-8-(2-
COc1cc(CNc2ncc(-c3cccnc3C)c3c(C#N)ncn23)c(F)cc1F
|
C21H16F2N6O 406.396000 |
AEZJCGGDYOTQKJ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451059; PubChem:CID139346181
|
Local ready
Direct docking supported
|
|
E3L019118
BDB019118
|
5-((2-Fluoro-6-methoxybenzyl)amino)-8-(2-
COc1cccc(F)c1CNc1ncc(-c2cccnc2C)c2c(C#N)ncn12
|
C21H17FN6O 388.406000 |
XRTLMSCRDZOHHB-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451060; PubChem:CID139346233
|
Local ready
Direct docking supported
|
|
E3L019119
BDB019119
|
Ethyl 8-bromo-5-(((5-fluoro-2,3-
CCOC(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(Br)c12
|
C18H16BrFN4O3 435.253000 |
PSDUHHKPZROJCO-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451061; PubChem:CID132257421
|
Local ready
Direct docking supported
|
|
E3L019120
BDB019120
|
US10676479, Example 92
CCOC(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(C)(=O)=O)cc3)c12
|
C25H23FN4O5S 510.547000 |
SAXBCTJESUGKOB-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451062; PubChem:CID139346246
|
Local ready
Direct docking supported
|