| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L019141
BDB019141
|
1-(2,6-Dimethylpyridin-3-yl)-8-(2,4-
Cc1ccc(-c2ncn3c(NCc4c(F)ccc5c4CCO5)ncc(-c4cnc(C)nc4C)c23)c(C)n1
|
C28H26FN7O 495.562000 |
DCRVHULDTVKEEV-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451083; PubChem:CID139346165
|
Local ready
Direct docking supported
|
|
E3L019142
BDB019142
|
US10676479, Example 114
Cc1ccc(-c2ncn3c(NCc4c(F)ccc5c4CCO5)ncc(-c4cnc(C)nc4C)c23)cn1
|
C27H24FN7O 481.535000 |
UATGKUUUDPUKBJ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451084; PubChem:CID139346264
|
Local ready
Direct docking supported
|
|
E3L019143
BDB019143
|
US10676479, Example 115
Cc1ccc(-c2ncn3c(NCc4c(F)ccc5c4CCO5)ncc(-c4cccnc4C)c23)cn1
|
C27H23FN6O 466.520000 |
AZVTZJGVTDJFBH-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451085; PubChem:CID139346317
|
Local ready
Direct docking supported
|
|
E3L019144
BDB019144
|
US10676479, Example 116
Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(C#C[Si](C)(C)C)c12
|
C26H26FN5OSi 471.612000 |
GCXUTKWSOMTREF-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451086; PubChem:CID141756778
|
Local ready
Direct docking supported
|
|
E3L019145
BDB019145
|
US10676479, Example 117
CC(C)Oc1ccc(-c2ncn3c(NCc4c(F)ccc5c4CCO5)ncc(-c4ccc(S(C)(=O)=O)cc4)c23)cc1
|
C31H29FN4O4S 572.662000 |
KHTAHNLUZHBHAE-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451087; PubChem:CID139346022
|
Local ready
Direct docking supported
|
|
E3L019146
BDB019146
|
US10676479, Example 118
CS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(-c4ncco4)c23)cc1
|
C25H20FN5O4S 505.531000 |
HCKCPOSCZKRALI-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451088; PubChem:CID139346185
|
Local ready
Direct docking supported
|
|
E3L019147
BDB019147
|
US10676479, Example 119
N#Cc1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-n3ccnc3)c12
|
C19H14FN7O 375.367000 |
PZVFFWBZIIXNKR-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451089; PubChem:CID139346227
|
Local ready
Direct docking supported
|
|
E3L019148
BDB019148
|
(5-(((5-Fluoro-2,3-dihydrobenzofuran-4-
Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(CO)c12
|
C22H20FN5O2 405.433000 |
KNONDVBPBAVBKN-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451090; PubChem:CID139346327
|
Local ready
Direct docking supported
|
|
E3L019149
BDB019149
|
US10711007, Example 1A
Nc1ncnc2c1ccn2[C@@H]1O[C@H]([C@@H]2OCc3cc(Cl)ccc32)[C@@H](O)[C@H]1O
|
C18H17ClN4O4 388.811000 |
BQXHUBIROWQFCN-CIBFVHANSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM452962; PubChem:CID139488414
|
Local ready
Direct docking supported
|
|
E3L019150
BDB019150
|
US10711007, Example 2A
Nc1ncnc2c1ccn2[C@@H]1C[C@H]([C@H]2OCc3cc(Cl)ccc32)[C@@H](O)[C@H]1O
|
C19H19ClN4O3 386.839000 |
SSNBXGFUCGOVPH-BIVLZKPYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM452992; PubChem:CID139488577
|
Local ready
Direct docking supported
|
|
E3L019151
BDB019151
|
US10711007, Example 3A
Nc1ncnc2c1ccn2[C@@H]1C[C@H]([C@@H]2OC(=O)c3cc(Cl)ccc32)[C@@H](O)[C@H]1O
|
C19H17ClN4O4 400.822000 |
AYZHNCVUEKECDO-CQJMVSDSSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM452993; PubChem:CID139488568
|
Local ready
Direct docking supported
|
|
E3L019152
BDB019152
|
US10711007, Example 3B
Nc1ncnc2c1ccn2[C@@H]1C[C@H]([C@H]2OC(=O)c3cc(Cl)ccc32)[C@@H](O)[C@H]1O
|
C19H17ClN4O4 400.822000 |
AYZHNCVUEKECDO-OTJKEOIZSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM452994; PubChem:CID139488403
|
Local ready
Direct docking supported
|
|
E3L019153
BDB019153
|
US10711007, Example 2B
Nc1ncnc2c1ccn2[C@@H]1C[C@H]([C@@H]2OCc3cc(Cl)ccc32)[C@@H](O)[C@H]1O
|
C19H19ClN4O3 386.839000 |
SSNBXGFUCGOVPH-JZAWBGDQSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM452996; PubChem:CID139488471
|
Local ready
Direct docking supported
|
|
E3L019154
BDB019154
|
US10711007, Example 4
Nc1ncnc2c1ccn2[C@@H]1O[C@H]([C@@H]2OCc3cc(F)c(F)cc32)[C@@H](O)[C@H]1O
|
C18H16F2N4O4 390.346000 |
HKXVKNIGULOIGM-CIBFVHANSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM452997; PubChem:CID139488399
|
Local ready
Direct docking supported
|
|
E3L019155
BDB019155
|
Prmt5-IN-13
Nc1ncnc2c1ccn2[C@@H]1O[C@H]([C@@H]2OCc3ccc(Cl)cc32)[C@@H](O)[C@H]1O
|
C18H17ClN4O4 388.811000 |
BKXOWBKZDGTLFX-CIBFVHANSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM452998; PubChem:CID139488356
|
Local ready
Direct docking supported
|
|
E3L019156
BDB019156
|
US10711007, Example 15
Cc1ncnc2c1ccn2[C@@H]1O[C@H]([C@@H]2OCc3ccc(Cl)cc32)[C@@H](O)[C@H]1O
|
C19H18ClN3O4 387.823000 |
XLDLIFBOVZRYMG-WAXPSYRMSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM452999; PubChem:CID139488438
|
Local ready
Direct docking supported
|
|
E3L019157
BDB019157
|
US10711007, Example 22
Cc1ncnc2c1ccn2[C@@H]1O[C@H]([C@@H]2OCCc3cc(Cl)ccc32)[C@@H](O)[C@H]1O
|
C20H20ClN3O4 401.850000 |
MLESHNTYCKAIOZ-ILRSOXBSSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM453000; PubChem:CID139488372
|
Local ready
Direct docking supported
|
|
E3L019158
BDB019158
|
US10711007, Example 42
COC1Cc2cc(Cl)ccc2[C@H]([C@H]2O[C@@H](n3ccc4c(N)ncnc43)[C@H](O)[C@@H]2O)O1
|
C20H21ClN4O5 432.864000 |
LZOCADXQVPMWPC-CHGXTBDYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM453001; PubChem:CID139488551
|
Local ready
Direct docking supported
|
|
E3L019159
BDB019159
|
US10711007, Example 43
Nc1ncnc2c1ccn2[C@@H]1O[C@H]([C@@H]2OC(O)Cc3cc(Cl)ccc32)[C@@H](O)[C@H]1O
|
C19H19ClN4O5 418.837000 |
HQPIJWPBMNFLDK-KUUSOUCTSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM453002; PubChem:CID139488262
|
Local ready
Direct docking supported
|
|
E3L019160
BDB019160
|
US10711007, Example 44
COC1Cc2cc(Cl)ccc2[C@H]([C@H]2O[C@@H](n3ccc4c(C)ncnc43)[C@H](O)[C@@H]2O)O1
|
C21H22ClN3O5 431.876000 |
JJOGURNSAMIAPO-SJPCJUEYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM453003; PubChem:CID139488488
|
Local ready
Direct docking supported
|