| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L026521
BDB026521
|
US11365205, Example 103
CC(=O)N1CCN(C(=O)c2cc(C#N)cnc2CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)CC1
|
C29H35N7O4 545.644000 |
DKGPCESYTFDYAK-RUZDIDTESA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558839; PubChem:CID139527174
|
Local ready
Direct docking supported
|
|
E3L026522
BDB026522
|
US11365205, Example 104
O=C(Nc1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1)C1COC1
|
C25H31N5O4 465.554000 |
FXXYRYXBBUVUNY-HSZRJFAPSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558840; PubChem:CID139513084
|
Local ready
Direct docking supported
|
|
E3L026523
BDB026523
|
US11365205, Example 105
O=C(Nc1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1)C1CCCC1
|
C27H35N5O3 477.609000 |
KFTWJPYJBGSPCN-RUZDIDTESA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558841; PubChem:CID139527169
|
Local ready
Direct docking supported
|
|
E3L026524
BDB026524
|
US11365205, Example 106
O=C(Nc1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1)C1CCC1
|
C26H33N5O3 463.582000 |
NMNQMYXGZUJIKF-XMMPIXPASA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558842; PubChem:CID139527167
|
Local ready
Direct docking supported
|
|
E3L026525
BDB026525
|
US11365205, Example 107
O=C(Nc1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1)C1CCOCC1
|
C27H35N5O4 493.608000 |
RHLCHYYLKCLXKV-RUZDIDTESA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558843; PubChem:CID139527170
|
Local ready
Direct docking supported
|
|
E3L026526
BDB026526
|
US11365205, Example 108
O=C1N(Cc2ccc(NC3CCOCC3)cn2)CCN1C[C@H](O)CN1CCc2ccccc2C1
|
C26H35N5O3 465.598000 |
PPYDCTMHTZSRFS-RUZDIDTESA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558844; PubChem:CID139527044
|
Local ready
Direct docking supported
|
|
E3L026527
BDB026527
|
US11365205, Example 109
CC(=O)N1CCC(Nc2ccc(CN3CCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)nc2)CC1
|
C28H38N6O3 506.651000 |
ATGRJIJETUETJD-HHHXNRCGSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558845; PubChem:CID139527168
|
Local ready
Direct docking supported
|
|
E3L026528
BDB026528
|
US11365205, Example 110
O=C1N(Cc2ccc(C#CC3COC3)cn2)CCN1C[C@H](O)CN1CCc2ccccc2C1
|
C26H30N4O3 446.551000 |
AOSQGWUEZPSSNR-RUZDIDTESA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558846; PubChem:CID139526973
|
Local ready
Direct docking supported
|
|
E3L026529
BDB026529
|
US11369605, Example 1
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C(=O)[C@H]3N[C@H]4CC[C@@H]3C[C@@H]4CC3CC3)CC2)C1)C(C)C
|
C36H49FN6O3 632.825000 |
SKALBDQRURDSRO-XUOJJIKWSA-N | Q03164 | Menin |
BindingDB, PubChem
BindingDB:BDBM558847; PubChem:CID146565077
|
Local ready
Direct docking supported
|
|
E3L026530
BDB026530
|
US11384066, Example 1
Cc1cc(Nc2ccc(F)c(CC3(C(=O)O)CCN(Cc4cccc(Cl)c4F)CC3)n2)n[nH]1
|
C23H24ClF2N5O2 475.927000 |
LGTBIYHSNLXDIA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560624; PubChem:CID159346105
|
Local ready
Direct docking supported
|
|
E3L026531
BDB026531
|
US11384066, Example 2
CCC1CC(Cc2nc(Nc3cc(C)[nH]n3)ccc2F)(C(=O)O)CCN1Cc1cccc(Cl)c1F
|
C25H28ClF2N5O2 503.981000 |
LWIKRSTVFVSLEM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560625; PubChem:CID156466215
|
Local ready
Direct docking supported
|
|
E3L026532
BDB026532
|
US11384066, Example 5
Cc1cc(Nc2nc(C[C@@]3(C(=O)O)CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)ccc2F)[nH]n1
|
C24H26ClF2N5O2 489.954000 |
JODNFBDDCMSPPR-OYLFLEFRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560626; PubChem:CID163303830
|
Local ready
Direct docking supported
|
|
E3L026533
BDB026533
|
US11384066, Example 6
Cc1cc(Nc2ccc(F)c(C[C@@]3(C(=O)O)CCN(Cc4c(F)ccc(Cl)c4F)[C@H](C)C3)n2)n[nH]1
|
C24H25ClF3N5O2 507.944000 |
HYLCJGBRMUSQQL-JBEBIEQOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560627; PubChem:CID164812595
|
Local ready
Direct docking supported
|
|
E3L026534
BDB026534
|
US11384066, Example 8
CC[C@@H]1C[C@](Cc2nc(Nc3cc(C)[nH]n3)ccc2F)(C(=O)O)CCN1Cc1cccc(Cl)c1F
|
C25H28ClF2N5O2 503.981000 |
LWIKRSTVFVSLEM-CRICUBBOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560628; PubChem:CID164812712
|
Local ready
Direct docking supported
|
|
E3L026535
BDB026535
|
US11384066, Example 10
Cc1cc(Nc2ccc(C)c(C[C@@]3(C(=O)O)CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)n2)n[nH]1
|
C25H29ClFN5O2 485.991000 |
VFSDCFPRAHKMGQ-CRICUBBOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560629; PubChem:CID153041131
|
Local ready
Direct docking supported
|
|
E3L026536
BDB026536
|
US11384066, Example 11
Cc1cc(Nc2ccc(Cl)c(C[C@@]3(C(=O)O)CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)n2)n[nH]1
|
C24H26Cl2FN5O2 506.409000 |
YTDRMZITPHCTGY-OYLFLEFRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560630; PubChem:CID164812657
|
Local ready
Direct docking supported
|
|
E3L026537
BDB026537
|
US11384066, Example 12
Cc1cc(Nc2ccc(F)c(C[C@@]3(C(=O)O)CCN(Cc4c(F)cccc4F)[C@H](C)C3)n2)n[nH]1
|
C24H26F3N5O2 473.499000 |
NGEUZWFPCQLJJJ-OYLFLEFRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560631; PubChem:CID164812435
|
Local ready
Direct docking supported
|
|
E3L026538
BDB026538
|
US11384066, Example 15
Cc1cc(Nc2ccc(F)c(C[C@@]3(C(=O)O)CCN(Cc4cccc(F)c4F)[C@H](C)C3)n2)n[nH]1
|
C24H26F3N5O2 473.499000 |
ZLXRCPDTORAWNV-OYLFLEFRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560632; PubChem:CID164812751
|
Local ready
Direct docking supported
|
|
E3L026539
BDB026539
|
US11384066, Example 16
Cc1cc(Nc2ccc(F)c(C[C@@]3(C(=O)O)CCN(Cc4cccc(C)c4F)[C@H](C)C3)n2)n[nH]1
|
C25H29F2N5O2 469.536000 |
AVIIYQNUOXALQJ-CRICUBBOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560633; PubChem:CID164812676
|
Local ready
Direct docking supported
|
|
E3L026540
BDB026540
|
US11384066, Example 17
Cc1cc(Nc2ccc(F)c(C[C@@]3(C(=O)O)CCN(Cc4c(Cl)cccc4Cl)[C@H](C)C3)n2)n[nH]1
|
C24H26Cl2FN5O2 506.409000 |
ACTXWWQHJRICMT-OYLFLEFRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560634; PubChem:CID164812402
|
Local ready
Direct docking supported
|