| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L028581
BDB028581
|
US11485731, Example 4AB
O=C(OCC(O)CN1CCc2ccsc2C1)N1CCc2ccccc2C1
|
C20H24N2O3S 372.490000 |
GVAOBCHNPLMKKK-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM579974; PubChem:CID142428225
|
Local ready
Direct docking supported
|
|
E3L028582
BDB028582
|
US11485731, Example 4AC
O=C(OCC(O)CN1CCc2sccc2C1)N1CCCC(c2ccccc2)C1
|
C22H28N2O3S 400.544000 |
JMIQDMQDHKQERU-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM579975; PubChem:CID142428269
|
Local ready
Direct docking supported
|
|
E3L028583
BDB028583
|
US11485731, Example 4AD
O=C(OCC(O)CN1CCc2ccsc2C1)N1CCCC(c2ccccc2)C1
|
C22H28N2O3S 400.544000 |
PEPGAQWIVMYBNJ-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM579976; PubChem:CID142428340
|
Local ready
Direct docking supported
|
|
E3L028584
BDB028584
|
US11485731, Example 4AE
O=C(OCC(O)CN1CCc2sccc2C1)N1CCC(c2ccccc2)C1
|
C21H26N2O3S 386.517000 |
ZRGSHHBXPGVJSR-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM579977; PubChem:CID142428246
|
Local ready
Direct docking supported
|
|
E3L028585
BDB028585
|
US11485731, Example 4AF
O=C(OCC(O)CN1CCc2ccsc2C1)N1CCC(c2ccccc2)C1
|
C21H26N2O3S 386.517000 |
OWAZONZGOAXGGP-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM579978; PubChem:CID142428216
|
Local ready
Direct docking supported
|
|
E3L028586
BDB028586
|
US11485731, Example 4AG
O=C(OCC(O)CN1CCc2ccccc2C1)N1CCCc2ccccc21
|
C22H26N2O3 366.461000 |
BKVVZVCNRIGPNS-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM579979; PubChem:CID142428333
|
Local ready
Direct docking supported
|
|
E3L028587
BDB028587
|
US11485731, Example 4AH
O=C(OCC(O)CN1CCc2ccccc2C1)N1CCCC(c2ccccc2)C1
|
C24H30N2O3 394.515000 |
WRFFICVFFHXHDL-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM579980; PubChem:CID142428389
|
Local ready
Direct docking supported
|
|
E3L028588
BDB028588
|
US11485731, Example 5C
O=C(NC[C@H](O)CN1CCc2ccccc2C1)N1CCS[C@@H](c2ccccc2)C1
|
C23H29N3O2S 411.571000 |
VQWMIOJCLWPRMA-FCHUYYIVSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM579983; PubChem:CID142428315
|
Local ready
Direct docking supported
|
|
E3L028589
BDB028589
|
US11485731, Example 5E
O=C(NC[C@H](O)CN1CCc2ccccc2C1)N1CCC[C@@H](c2ccccn2)C1
|
C23H30N4O2 394.519000 |
VAEAPPUJJADYEH-RTWAWAEBSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM579985; PubChem:CID142428243
|
Local ready
Direct docking supported
|
|
E3L028590
BDB028590
|
US11485731, Example 5G
O=C(NC[C@H](O)CN1CCc2ccccc2C1)N1CCC[C@@H](C2CCOCC2)C1
|
C23H35N3O3 401.551000 |
BNIVCVQORGPNBY-YADHBBJMSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM579987; PubChem:CID142428348
|
Local ready
Direct docking supported
|
|
E3L028591
BDB028591
|
US11485731, Example 6A
O=C(NCCCN1CCc2ccccc2C1)N1CCC(c2ccccc2)C1
|
C23H29N3O 363.505000 |
LKQDIWQNXVMDDF-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM579989; PubChem:CID53614022
|
Local ready
Direct docking supported
|
|
E3L028592
BDB028592
|
US11485731, Example 6B
O=C(NCCCN1CCc2ccccc2C1)N1CCCC(c2ccccc2)C1
|
C24H31N3O 377.532000 |
XOSYPQJANANERF-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM579990; PubChem:CID142428326
|
Local ready
Direct docking supported
|
|
E3L028593
BDB028593
|
US11485731, Example 7
O=C(OCCCN1CCc2ccccc2C1)N1CCC(c2ccccc2)C1
|
C23H28N2O2 364.489000 |
SLRBDQNHNAHSCJ-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM579991; PubChem:CID142428320
|
Local ready
Direct docking supported
|
|
E3L028594
BDB028594
|
Ksq-4279
COc1ncnc(C2CC2)c1-c1ncc2cnn(Cc3ccc(-c4nc(C(F)(F)F)cn4C(C)C)cc3)c2n1
|
C27H25F3N8O 534.546000 |
KCBWAFJCKVKYHO-UHFFFAOYSA-N | Q8TAF3 | WD repeat-containing protein 48 |
BindingDB, PubChem
BindingDB:BDBM580031; PubChem:CID150782011
|
Local ready
Direct docking supported
|
|
E3L028595
BDB028595
|
US11485738, Example 169
COC(=O)c1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)n(C)n1
|
C22H18FN7O3 447.430000 |
HTQKSDCXETZAJW-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM580118; PubChem:CID156051113
|
Local ready
Direct docking supported
|
|
E3L028596
BDB028596
|
BDBM580138
Cc1ncccc1-c1cnc(NCc2c(F)ccc3occc23)n2cc(C#N)nc12
|
C22H15FN6O 398.401000 |
QRQXMDNBSDFOPU-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM580138; PubChem:CID155676961
|
Local ready
Direct docking supported
|
|
E3L028597
BDB028597
|
US11485738, Example 23
Cc1nn(C(C)C)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C23H22FN7O 431.475000 |
ZDBPLSPFJZAYOW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM580139; PubChem:CID139371257
|
Local ready
Direct docking supported
|
|
E3L028598
BDB028598
|
US11485738, Example 140
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(C3CCNCC3)c2n1
|
C21H21FN6O 392.438000 |
USKDFXYKTAACBI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM580256; PubChem:CID155676928
|
Local ready
Direct docking supported
|
|
E3L028599
BDB028599
|
US11485738, Example 141
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(C3CCOCC3)c2n1
|
C21H20FN5O2 393.422000 |
JRCAHVGSMADQHZ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM580257; PubChem:CID155676908
|
Local ready
Direct docking supported
|
|
E3L028600
BDB028600
|
BDBM580325
CN(C)Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)n(C)n1
|
C23H23FN8O 446.490000 |
WDAFAPSQJVMAAM-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM580325; PubChem:CID155676982
|
Local ready
Direct docking supported
|