| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L023021
BDB023021
|
US11207325, Example 170
Cn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)c(C(F)(F)F)n1
|
C19H15F4N7O 433.369000 |
XAFJTQTWRKCBFK-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM531247; PubChem:CID121432982
|
Local ready
Direct docking supported
|
|
E3L023022
BDB023022
|
US11207325, Example 204
Cc1nc(NCc2c(F)ccc3c2CCO3)n2cnnc2c1-c1ccc[n+]([O-])c1C
|
C21H19FN6O2 406.421000 |
UPEGVYPQHFPRNW-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM531281; PubChem:CID163200919
|
Local ready
Direct docking supported
|
|
E3L023023
BDB023023
|
US11208416, Example 17
CSC[C@H]1OC(n2ccc3c(N)ncnc32)[C@H](O)[C@]1(C)O
|
C13H18N4O3S 310.379000 |
LQQSOCLYTRMQNW-CEWYYZTQSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM532164; PubChem:CID159428307
|
Local ready
Direct docking supported
|
|
E3L023024
BDB023024
|
US11208416, Example 64
Cc1ncnc2c1ccn2[C@@H]1OC(Cc2ccc(Cl)cc2CO)[C@@](C)(O)[C@H]1O
|
C20H22ClN3O4 403.866000 |
ZGTFXCLQCUFVNG-KSRCZVEISA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM532200; PubChem:CID162115869
|
Local ready
Direct docking supported
|
|
E3L023025
BDB023025
|
US11214574, Ex# 1B
Nc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H]2OC(=O)c3cc(Cl)ccc32)[C@@H](O)[C@H]1O
|
C18H15ClN4O5 402.794000 |
LPOAVJUYEHAZNY-IQNXINDISA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM532953; PubChem:CID159419258
|
Local ready
Direct docking supported
|
|
E3L023026
BDB023026
|
BDBM532978
Nc1ncnc2c1ccn2C1O[C@H]([C@@H]2OCOCc3cc(Cl)ccc32)[C@@H](O)[C@H]1O
|
C19H19ClN4O5 418.837000 |
YHXNRAATIBEQER-XIYBEJTNSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM532978; PubChem:CID155117206
|
Local ready
Direct docking supported
|
|
E3L023027
BDB023027
|
BDBM532997
Cc1ncnc2c1ccn2C1O[C@H]([C@@H]2OCCCc3cc(Cl)ccc32)[C@@H](O)[C@H]1O
|
C21H22ClN3O4 415.877000 |
GBSQKWHBPQCVBZ-VQCHGODESA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM532997; PubChem:CID158208023
|
Local ready
Direct docking supported
|
|
E3L023028
BDB023028
|
BDBM532998
Nc1ncnc2c1ccn2C1O[C@H]([C@@H]2OCCCc3cc(Cl)ccc32)[C@@H](O)[C@H]1O
|
C20H21ClN4O4 416.865000 |
XKLKWJBIKTVKMG-SNRGRURWSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM532998; PubChem:CID161735894
|
Local ready
Direct docking supported
|
|
E3L023029
BDB023029
|
US11220509, Example 3
CCOC(=O)c1cn2c(NCc3c(F)ccc4occc34)ncc(Br)c2n1
|
C18H14BrFN4O3 433.237000 |
YFVGSCVBPNBEPB-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM533353; PubChem:CID139381694
|
Local ready
Direct docking supported
|
|
E3L023030
BDB023030
|
US11220509, Example 28
Cc1cc(-c2cnc(NCc3c(F)ccc4occc34)n3cc(C#N)nc23)n(C)n1
|
C21H16FN7O 401.405000 |
PIQTYJZWPJPBRT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM533396; PubChem:CID156050897
|
Local ready
Direct docking supported
|
|
E3L023031
BDB023031
|
US11220524, Example 20
N/N=c1/nc[nH]c2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O
|
C17H18ClN5O4 391.815000 |
XOAGRGZQXSOUHH-QFRSUPTLSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM533402; PubChem:CID154029228
|
Local ready
Direct docking supported
|
|
E3L023032
BDB023032
|
Prmt5-IN-28
CO/N=c1/nc[nH]c2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O
|
C18H19ClN4O5 406.826000 |
AMEIDIZPVPXFLE-KQVLKZGSSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM533403; PubChem:CID135307505
|
Local ready
Direct docking supported
|
|
E3L023033
BDB023033
|
US11220524, Example 37
O/N=c1/nc[nH]c2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O
|
C17H17ClN4O5 392.799000 |
KFTWIUQJWMRJQW-QFRSUPTLSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM533404; PubChem:CID135307508
|
Local ready
Direct docking supported
|
|
E3L023034
BDB023034
|
US11220524, Example 52
CN/N=c1/nc[nH]c2c1ncn2[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O
|
C17H19ClN6O4 406.830000 |
COBTYSONMAWLCH-QFRSUPTLSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM533405; PubChem:CID135307440
|
Local ready
Direct docking supported
|
|
E3L023035
BDB023035
|
US11220524, Example 39
N/N=c1/nc[nH]c2c1ncn2[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O
|
C16H17ClN6O4 392.803000 |
INQRYZHNGDLKHC-ZUSNOYAUSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM533406; PubChem:CID135307433
|
Local ready
Direct docking supported
|
|
E3L023036
BDB023036
|
US11220524, Example 62
CO/N=c1/nc[nH]c2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)c(F)c2)[C@@H](O)[C@H]1O
|
C18H18ClFN4O5 424.816000 |
IAKJMOBYLLVGKR-KQVLKZGSSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM533407; PubChem:CID135307624
|
Local ready
Direct docking supported
|
|
E3L023037
BDB023037
|
US11220524, Example 63
O/N=c1/nc[nH]c2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)c(F)c2)[C@@H](O)[C@H]1O
|
C17H16ClFN4O5 410.789000 |
KCLDZPHNBLIJFB-QFRSUPTLSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM533408; PubChem:CID135307658
|
Local ready
Direct docking supported
|
|
E3L023038
BDB023038
|
BDBM533409
CN/N=c1\nc[nH]c2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O
|
C18H20ClN5O4 405.842000 |
OSOFWQCHKHEEPX-KQVLKZGSSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM533409; PubChem:CID135307634
|
Local ready
Direct docking supported
|
|
E3L023039
BDB023039
|
US11220524, Example 54
O/N=c1/nc[nH]c2c1ncn2[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O
|
C16H16ClN5O5 393.787000 |
NSMBYAYVWMBIQC-ZUSNOYAUSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM533410; PubChem:CID135307422
|
Local ready
Direct docking supported
|
|
E3L023040
BDB023040
|
US11220524, Example 53
CO/N=c1/nc[nH]c2c1ncn2[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O
|
C17H18ClN5O5 407.814000 |
VXAALQOXDNWXAM-QFRSUPTLSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM533411; PubChem:CID135307402
|
Local ready
Direct docking supported
|