| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L021261
BDB021261
|
US11091495, Example 103
CN(C)CCCn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
|
C24H25FN8O 460.517000 |
HHMZECFYXRJRFF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513742; PubChem:CID155788008
|
Local ready
Direct docking supported
|
|
E3L021262
BDB021262
|
US11091495, Example 104
Cc1n[nH]c(C)c1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C21H18FN7O 403.421000 |
NCSVBCQCTXBRFJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513743; PubChem:CID155788091
|
Local ready
Direct docking supported
|
|
E3L021263
BDB021263
|
US11091495, Example 105
Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C22H17FN6O 400.417000 |
WWHYMSGEEGSWLY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513744; PubChem:CID155676929
|
Local ready
Direct docking supported
|
|
E3L021264
BDB021264
|
US11091495, Example 106
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(C4COC4)c3)c2n1
|
C22H18FN7O2 431.431000 |
FMLGHOHHTMVNJR-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513745; PubChem:CID155788006
|
Local ready
Direct docking supported
|
|
E3L021265
BDB021265
|
US11091495, Example 107
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(C4CCOC4)c3)c2n1
|
C23H20FN7O2 445.458000 |
LKKATWBZSSVMRX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513746; PubChem:CID155787991
|
Local ready
Direct docking supported
|
|
E3L021266
BDB021266
|
US11091495, Example 108
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(CC(F)(F)F)c3)c2n1
|
C21H15F4N7O 457.391000 |
DVZAJHCWPYSJMP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513747; PubChem:CID156050912
|
Local ready
Direct docking supported
|
|
E3L021267
BDB021267
|
US11091495, Example 109
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnccc3Cl)c2n1
|
C21H14ClFN6O 420.835000 |
NJOVETZRLXEYMT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513748; PubChem:CID155788128
|
Local ready
Direct docking supported
|
|
E3L021268
BDB021268
|
US11091495, Example 110
Cc1ncncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C21H16FN7O 401.405000 |
WRTWCLLYZVOLPM-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513749; PubChem:CID155788003
|
Local ready
Direct docking supported
|
|
E3L021269
BDB021269
|
US11091495, Example 111
Cn1nc(C(F)(F)F)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C21H15F4N7O 457.391000 |
KKQYWOJEQUGBDY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513750; PubChem:CID156050908
|
Local ready
Direct docking supported
|
|
E3L021270
BDB021270
|
US11091495, Example 112
CN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1
|
C25H23FN6O 442.498000 |
JJCZYCVSGAQWBL-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513751; PubChem:CID155788075
|
Local ready
Direct docking supported
|
|
E3L021271
BDB021271
|
US11091495, Example 113
COc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)ccn1
|
C22H17FN6O2 416.416000 |
JOSMIOOHLINXGW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513752; PubChem:CID155676980
|
Local ready
Direct docking supported
|
|
E3L021272
BDB021272
|
US11091495, Example 114
Cn1nccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C20H16FN7O 389.394000 |
ZBMIGKSBOCAYQM-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513753; PubChem:CID155788092
|
Local ready
Direct docking supported
|
|
E3L021273
BDB021273
|
US11091495, Example 115
CN1CCN(C(=O)c2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C#N)nc34)cc2)CC1
|
C28H26FN7O2 511.561000 |
AFIVAVZMDHGHDE-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513754; PubChem:CID155788132
|
Local ready
Direct docking supported
|
|
E3L021274
BDB021274
|
US11091495, Example 116
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C4CC4)nc3)c2n1
|
C24H19FN6O 426.455000 |
KRLSHLVXXMNOQV-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513755; PubChem:CID155788163
|
Local ready
Direct docking supported
|
|
E3L021275
BDB021275
|
US11091495, Example 117
COCCn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
|
C22H20FN7O2 433.447000 |
LOFNQEPSCRGCDL-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513756; PubChem:CID156050929
|
Local ready
Direct docking supported
|
|
E3L021276
BDB021276
|
US11091495, Example 118
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(C4CCCCO4)c3)c2n1
|
C24H22FN7O2 459.485000 |
SRCGBYDIZKQDAX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513757; PubChem:CID155788076
|
Local ready
Direct docking supported
|
|
E3L021277
BDB021277
|
US11091495, Example 119
CCn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
|
C21H18FN7O 403.421000 |
PXLOKXJRSWVFRW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513758; PubChem:CID155788031
|
Local ready
Direct docking supported
|
|
E3L021278
BDB021278
|
US11091495, Example 120
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(C4CCOCC4)c3)c2n1
|
C24H22FN7O2 459.485000 |
XIIVQYTVPLVMKJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513759; PubChem:CID155788040
|
Local ready
Direct docking supported
|
|
E3L021279
BDB021279
|
US11091495, Example 121
CC(C)(O)Cn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
|
C23H22FN7O2 447.474000 |
YXCILEJYVNSKQL-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513760; PubChem:CID155788077
|
Local ready
Direct docking supported
|
|
E3L021280
BDB021280
|
US11091495, Example 122
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCCO4)n3cc(C#N)nc23)n(C)n1
|
C22H20FN7O 417.448000 |
AWZHWSXROUXLHE-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513761; PubChem:CID155788107
|
Local ready
Direct docking supported
|