| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L021341
BDB021341
|
US11091495, Example 184
Cc1cc(S(=O)(=O)C(F)(F)F)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C24H17F4N5O3S 531.491000 |
YAGRWOSMKWMLKY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513823; PubChem:CID156051050
|
Local ready
Direct docking supported
|
|
E3L021342
BDB021342
|
US11091495, Example 185
CNCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1
|
C24H21FN6O 428.471000 |
JHUCGHRPGVOVCF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513824; PubChem:CID155787993
|
Local ready
Direct docking supported
|
|
E3L021343
BDB021343
|
US11091495, Example 186
CNC(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1
|
C24H19FN6O2 442.454000 |
SGPQSSIOHDGUMV-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513825; PubChem:CID155788088
|
Local ready
Direct docking supported
|
|
E3L021344
BDB021344
|
US11091495, Example 187
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccccc3C#N)c2n1
|
C23H15FN6O 410.412000 |
TWYPHVCCCUCUHQ-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513826; PubChem:CID156050989
|
Local ready
Direct docking supported
|
|
E3L021345
BDB021345
|
US11091495, Example 188
N#Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)ccn1
|
C22H14FN7O 411.400000 |
YPCJINHFCMZDAQ-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513827; PubChem:CID156050944
|
Local ready
Direct docking supported
|
|
E3L021346
BDB021346
|
US11091495, Example 189
CN(C)CCOc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1
|
C26H25FN6O2 472.524000 |
DAMMYUAOYACXNW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513828; PubChem:CID155788007
|
Local ready
Direct docking supported
|
|
E3L021347
BDB021347
|
BDBM513829
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(-c4nnn[nH]4)cc3)c2n1
|
C23H16FN9O 453.441000 |
NOEDLQUQVUAEQW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513829; PubChem:CID155788161
|
Local ready
Direct docking supported
|
|
E3L021348
BDB021348
|
US11091495, Example 191
COCCOc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
|
C23H20FN7O3 461.457000 |
ISBXAPRIQWXGCC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513830; PubChem:CID156050911
|
Local ready
Direct docking supported
|
|
E3L021349
BDB021349
|
US11091495, Example 192
Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(C)c1
|
C24H20FN5O 413.456000 |
WGCZJLCYUXTCMO-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513831; PubChem:CID155788111
|
Local ready
Direct docking supported
|
|
E3L021350
BDB021350
|
US11091495, Example 193
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccnn3C3CC3)c2n1
|
C22H18FN7O 415.432000 |
DOUGAHKQRQYSPU-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513832; PubChem:CID155788036
|
Local ready
Direct docking supported
|
|
E3L021351
BDB021351
|
US11091495, Example 194
Cn1nccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c1=O
|
C21H16FN7O2 417.404000 |
RYCSQEVYKFGMDL-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513833; PubChem:CID155787969
|
Local ready
Direct docking supported
|
|
E3L021352
BDB021352
|
US11091495, Example 195
Cc1cc(CN(C)C)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C25H24FN7O 457.513000 |
SMRSWCZPPVSVRD-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513834; PubChem:CID155788137
|
Local ready
Direct docking supported
|
|
E3L021353
BDB021353
|
US11091495, Example 196
CNCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(C)c1
|
C25H23FN6O 442.498000 |
ZMBBZQDNQSEFTN-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513835; PubChem:CID155788147
|
Local ready
Direct docking supported
|
|
E3L021354
BDB021354
|
US11091495, Example 197
CNCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1F
|
C24H20F2N6O 446.461000 |
QCDMRDAMBIABOE-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513836; PubChem:CID155788125
|
Local ready
Direct docking supported
|
|
E3L021355
BDB021355
|
US11091495, Example 198
CN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(C#N)c1
|
C26H22FN7O 467.508000 |
DFFPAXCRFUBMOA-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513837; PubChem:CID156050962
|
Local ready
Direct docking supported
|
|
E3L021356
BDB021356
|
US11091495, Example 199
CC(c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1)N(C)C
|
C26H25FN6O 456.525000 |
CQYOZUOGBAKLPI-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513838; PubChem:CID155787987
|
Local ready
Direct docking supported
|
|
E3L021357
BDB021357
|
US11091495, Example 200
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)ccc1CN(C)C
|
C26H25FN6O 456.525000 |
HXQLCERFGIVZMJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513839; PubChem:CID155788113
|
Local ready
Direct docking supported
|
|
E3L021358
BDB021358
|
US11091495, Example 201
CN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1C#N
|
C26H22FN7O 467.508000 |
CZAAZRXLUIBAEL-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513840; PubChem:CID156050905
|
Local ready
Direct docking supported
|
|
E3L021359
BDB021359
|
US11091495, Example 202
[2H]C([2H])([2H])C(Nc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1C#N)C([2H])([2H])[2H]
|
C26H22FN7O 473.544611 |
ICUPFVVJICCJQV-WFGJKAKNSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513841; PubChem:CID176455492
|
Local ready
Direct docking supported
|
|
E3L021360
BDB021360
|
BDBM513842
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc4c(c3)CCNC4)c2n1
|
C25H21FN6O 440.482000 |
WVAWYXLXRBQNHE-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513842; PubChem:CID152329158
|
Local ready
Direct docking supported
|