| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L021381
BDB021381
|
US11091495, Example 227
CN1CCOCC1c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1
|
C27H25FN6O2 484.535000 |
GHGXGLCWQKLORM-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513865; PubChem:CID155788115
|
Local ready
Direct docking supported
|
|
E3L021382
BDB021382
|
BDBM513867
CN1CCN(C(=O)c2cc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C#N)nc34)n(C)n2)CC1
|
C26H26FN9O2 515.553000 |
JTCGIKFKCGLAPJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513867; PubChem:CID155676915
|
Local ready
Direct docking supported
|
|
E3L021383
BDB021383
|
BDBM513868
CN(C)CCn1nccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C23H23FN8O 446.490000 |
PYPNAVIDPGTVCP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513868; PubChem:CID139371722
|
Local ready
Direct docking supported
|
|
E3L021384
BDB021384
|
BDBM513869
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccnn3CCO)c2n1
|
C21H18FN7O2 419.420000 |
FEBQMVADONDCSH-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513869; PubChem:CID139371093
|
Local ready
Direct docking supported
|
|
E3L021385
BDB021385
|
BDBM513870
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3n[nH]cc3Br)c2n1
|
C19H13BrFN7O 454.263000 |
QJOCJQZOHIWCTD-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513870; PubChem:CID139371710
|
Local ready
Direct docking supported
|
|
E3L021386
BDB021386
|
BDBM513871
Cc1c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cnc(CN(C)C)c1F
|
C25H23F2N7O 475.503000 |
XMQRHCDCYAICKZ-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513871; PubChem:CID155676957
|
Local ready
Direct docking supported
|
|
E3L021387
BDB021387
|
US11098059, Example 1
CC[C@H]1CN(C[C@@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2ccc(Br)cc21
|
C22H25BrN2O2 429.358000 |
NSYXJLZEQPXXPZ-SZFUDVHCSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM515297; PubChem:CID155636477
|
Local ready
Direct docking supported
|
|
E3L021388
BDB021388
|
US11098059, Example 2
CC[C@H]1CN(C[C@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2ccc(Br)cc21
|
C22H25BrN2O2 429.358000 |
NSYXJLZEQPXXPZ-WVFSVQOHSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM515298; PubChem:CID155636482
|
Local ready
Direct docking supported
|
|
E3L021389
BDB021389
|
US11098059, Example 3
CC[C@@H]1CN(C[C@@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2ccc(Br)cc21
|
C22H25BrN2O2 429.358000 |
NSYXJLZEQPXXPZ-PUCZYUMASA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM515299; PubChem:CID155636488
|
Local ready
Direct docking supported
|
|
E3L021390
BDB021390
|
US11098059, Example 4
CC[C@@H]1CN(C[C@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2ccc(Br)cc21
|
C22H25BrN2O2 429.358000 |
NSYXJLZEQPXXPZ-OREJSRFESA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM515300; PubChem:CID155636486
|
Local ready
Direct docking supported
|
|
E3L021391
BDB021391
|
US11098059, Example 9
CC1(C)CN(C[C@@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2ccc(-c3ncnn3C3CC3)cc21
|
C27H31N5O2 457.578000 |
RDJGIPKJLARPSA-BJKOFHAPSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM515305; PubChem:CID155269483
|
Local ready
Direct docking supported
|
|
E3L021392
BDB021392
|
US11098059, Example 10
CCC1CN(C[C@@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2ccc(-c3ncnn3C3CC3)cc21
|
C27H31N5O2 457.578000 |
MKFVJVPIFLNNNU-WYSNEBGWSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM515306; PubChem:CID155276695
|
Local ready
Direct docking supported
|
|
E3L021393
BDB021393
|
US11098059, Example 11
O=C1c2ccc(-c3ncnn3C3CC3)cc2C2(CCC2)CN1C[C@@H](O)[C@@H]1Cc2ccccc2CN1
|
C28H31N5O2 469.589000 |
SKLDQNBOLVKBJG-LOSJGSFVSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM515307; PubChem:CID155269458
|
Local ready
Direct docking supported
|
|
E3L021394
BDB021394
|
US11098059, Example 12
CCC1CN(CC(O)[C@@H]2Cc3ccccc3CN2)C(=O)c2ccc(C(=O)N3C4CCC3COC4)cc21
|
C29H35N3O4 489.616000 |
LPPKXBXXUDNWIG-VOAOHMAESA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM515308; PubChem:CID155095306
|
Local ready
Direct docking supported
|
|
E3L021395
BDB021395
|
US11098059, Example 13
CC[C@H]1CN(C[C@@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2ccc(C(=O)N3C4CCC3COC4)cc21
|
C29H35N3O4 489.616000 |
LPPKXBXXUDNWIG-QYQQPSHKSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM515309; PubChem:CID155276691
|
Local ready
Direct docking supported
|
|
E3L021396
BDB021396
|
US11098059, Example 14
CC[C@H]1CN(C[C@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2ccc(C(=O)N3C4CCC3COC4)cc21
|
C29H35N3O4 489.616000 |
LPPKXBXXUDNWIG-GJIVGLNKSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM515310; PubChem:CID155276688
|
Local ready
Direct docking supported
|
|
E3L021397
BDB021397
|
US11098059, Example 15
CC[C@@H]1CN(C[C@@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2ccc(C(=O)N3C4CCC3COC4)cc21
|
C29H35N3O4 489.616000 |
LPPKXBXXUDNWIG-JXSNDDKCSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM515311; PubChem:CID155276689
|
Local ready
Direct docking supported
|
|
E3L021398
BDB021398
|
US11098059, Example 16
CC[C@@H]1CN(C[C@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2ccc(C(=O)N3C4CCC3COC4)cc21
|
C29H35N3O4 489.616000 |
LPPKXBXXUDNWIG-GPZZDHEUSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM515312; PubChem:CID155276692
|
Local ready
Direct docking supported
|
|
E3L021399
BDB021399
|
US11098059, Example 17
CC1(C)CN(C[C@@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2ccc(Br)cc21
|
C22H25BrN2O2 429.358000 |
FLZFDCDDLIIXFV-VQTJNVASSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM515313; PubChem:CID155095298
|
Local ready
Direct docking supported
|
|
E3L021400
BDB021400
|
US11098059, Example 18
CC1(C)CN(C[C@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2ccc(Br)cc21
|
C22H25BrN2O2 429.358000 |
FLZFDCDDLIIXFV-PMACEKPBSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM515314; PubChem:CID155095295
|
Local ready
Direct docking supported
|