| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L021301
BDB021301
|
US11091495, Example 143
Cn1nncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C19H15FN8O 390.382000 |
BDIUGQUKSKTIGY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513782; PubChem:CID155788030
|
Local ready
Direct docking supported
|
|
E3L021302
BDB021302
|
US11091495, Example 144
Cn1nc(C2CC2)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C23H20FN7O 429.459000 |
QMVWJEHSIZKLEM-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513783; PubChem:CID155788098
|
Local ready
Direct docking supported
|
|
E3L021303
BDB021303
|
US11091495, Example 145
Cc1nc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(C)s1
|
C21H17FN6OS 420.473000 |
RMUQMIXHRVWFLW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513784; PubChem:CID155788171
|
Local ready
Direct docking supported
|
|
E3L021304
BDB021304
|
US11091495, Example 146
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccccn3)c2n1
|
C21H15FN6O 386.390000 |
PBCKVNVBAQVRBC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513785; PubChem:CID155788130
|
Local ready
Direct docking supported
|
|
E3L021305
BDB021305
|
BDBM513786
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CO)nc3)c2n1
|
C22H17FN6O2 416.416000 |
RELJOVYVSLYYAF-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513786; PubChem:CID139371653
|
Local ready
Direct docking supported
|
|
E3L021306
BDB021306
|
BDBM513787
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnc3CO)c2n1
|
C22H17FN6O2 416.416000 |
GZNSVNWPLOOUOU-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513787; PubChem:CID139371559
|
Local ready
Direct docking supported
|
|
E3L021307
BDB021307
|
BDBM513788
CN(C)Cc1c(F)cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1F
|
C25H21F3N6O 478.478000 |
ISXVDIQXEBGFIC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513788; PubChem:CID139370906
|
Local ready
Direct docking supported
|
|
E3L021308
BDB021308
|
US11091495, Example 150
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CC(O)C4)cc3)c2n1
|
C26H23FN6O2 470.508000 |
SNWGDJSKRNYDNU-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513789; PubChem:CID155788145
|
Local ready
Direct docking supported
|
|
E3L021309
BDB021309
|
US11091495, Example 151
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCC(O)C4)cc3)c2n1
|
C27H25FN6O2 484.535000 |
NZDQFKCTEQPZOT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513790; PubChem:CID155788162
|
Local ready
Direct docking supported
|
|
E3L021310
BDB021310
|
US11091495, Example 152
Cc1nc(CN(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C25H24FN7O 457.513000 |
KCWPHFCEOFZPQY-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513791; PubChem:CID155788021
|
Local ready
Direct docking supported
|
|
E3L021311
BDB021311
|
BDBM513792
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccn(CC4CCCO4)n3)c2n1
|
C24H22FN7O2 459.485000 |
PIRZDXQMMZIWOI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513792; PubChem:CID155676947
|
Local ready
Direct docking supported
|
|
E3L021312
BDB021312
|
US11091495, Example 154
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(CC4CCOC4)c3)c2n1
|
C24H22FN7O2 459.485000 |
AVAZTTCDLJIOJM-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513793; PubChem:CID155787988
|
Local ready
Direct docking supported
|
|
E3L021313
BDB021313
|
BDBM513794
Cc1cc(-c2cnc(NCc3c(F)ccc4c3C(O)CO4)n3cc(C#N)nc23)n(C)n1
|
C21H18FN7O2 419.420000 |
HFXKNOVSZHJOEP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513794; PubChem:CID150411702
|
Local ready
Direct docking supported
|
|
E3L021314
BDB021314
|
BDBM513795
Cn1cccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c1=O
|
C22H17FN6O2 416.416000 |
AMHPTWFBCSOPAZ-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513795; PubChem:CID155676965
|
Local ready
Direct docking supported
|
|
E3L021315
BDB021315
|
US20240398811, Example 114
Cn1nc(C(=O)O)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C21H16FN7O3 433.403000 |
AFEKNNXNWROLRP-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513796; PubChem:CID155676964
|
Local ready
Direct docking supported
|
|
E3L021316
BDB021316
|
US11091495, Example 158
COCCOc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
|
C24H21FN6O3 460.469000 |
QVPNALZXLPFBHR-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513797; PubChem:CID156050997
|
Local ready
Direct docking supported
|
|
E3L021317
BDB021317
|
US11091495, Example 159
CN1CCc2cc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C#N)nc34)ccc2C1
|
C26H23FN6O 454.509000 |
BHPPGHQHTIQBCQ-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513798; PubChem:CID155788086
|
Local ready
Direct docking supported
|
|
E3L021318
BDB021318
|
US11091495, Example 160
CN1CCCC1c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1
|
C27H25FN6O 468.536000 |
YJXSMBXBANRCDK-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513799; PubChem:CID155787978
|
Local ready
Direct docking supported
|
|
E3L021319
BDB021319
|
US11091495, Example 161
COCCOc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1
|
C25H22FN5O3 459.481000 |
MZXOMPJHIVKHRJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513800; PubChem:CID156050906
|
Local ready
Direct docking supported
|
|
E3L021320
BDB021320
|
US11091495, Example 162
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C4CCCO4)cc3)c2n1
|
C26H22FN5O2 455.493000 |
ULCAYNNEZLTPSJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513801; PubChem:CID155788134
|
Local ready
Direct docking supported
|