| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L019581
BDB019581
|
US10807959, Example 10
Cc1nc(F)ccc1-c1cc(CNC2=NCCN2)cc(C(=O)NC(C2CC2)C2CC2)c1
|
C24H28FN5O 421.520000 |
MQTGZGWPCINZPD-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468741; PubChem:CID146370846
|
Local ready
Direct docking supported
|
|
E3L019582
BDB019582
|
US10807959, Example 11
COc1ccnc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3ccc(F)nc3C)c2)c1
|
C24H25FN6O2 448.502000 |
YMLHYSSHPLNUBK-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468742; PubChem:CID146370732
|
Local ready
Direct docking supported
|
|
E3L019583
BDB019583
|
US10807959, Example 12
Cc1ccncc1-c1cc(CNC2=NCCN2)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c1
|
C24H23Cl2N5O 468.388000 |
BZTRCMPRKNFOBP-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468743; PubChem:CID146370824
|
Local ready
Direct docking supported
|
|
E3L019584
BDB019584
|
US10807959, Example 13
COc1cc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3cnccc3C)c2)cc(OC)c1
|
C26H29N5O3 459.550000 |
XBNTUXGZTIUACW-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468744; PubChem:CID146370906
|
Local ready
Direct docking supported
|
|
E3L019585
BDB019585
|
US10807959, Example 14
COc1ccc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3cnccc3C)c2)cc1Cl
|
C25H26ClN5O2 463.969000 |
RWCHPXIGOOPYBS-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468745; PubChem:CID146370936
|
Local ready
Direct docking supported
|
|
E3L019586
BDB019586
|
US10807959, Example 15
COc1ccc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3ccnc(C)c3)c2)cc1OC
|
C26H29N5O3 459.550000 |
JOLOCYRJBJFRDB-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468746; PubChem:CID146371268
|
Local ready
Direct docking supported
|
|
E3L019587
BDB019587
|
US10807959, Example 16
Cc1cc(-c2cc(CNC3=NCCN3)cc(C(=O)NCc3cc(F)cc(Cl)c3)c2)ccn1
|
C24H23ClFN5O 451.933000 |
XHUVCOGWSGJBLK-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468747; PubChem:CID146370834
|
Local ready
Direct docking supported
|
|
E3L019588
BDB019588
|
US10807959, Example 17
COc1cc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3ccnc(C)c3)c2)ccc1Cl
|
C25H26ClN5O2 463.969000 |
MRWCRYFXLRSTJU-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468748; PubChem:CID146371052
|
Local ready
Direct docking supported
|
|
E3L019589
BDB019589
|
US10807959, Example 18
COc1cc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3cnccc3C)c2)ccc1Cl
|
C25H26ClN5O2 463.969000 |
MVMYWNZMIQCMGI-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468749; PubChem:CID146370916
|
Local ready
Direct docking supported
|
|
E3L019590
BDB019590
|
US10807959, Example 19
COc1ccnc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3cnccc3C)c2)c1
|
C24H26N6O2 430.512000 |
AREJUAVNDRFWSU-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468750; PubChem:CID146370877
|
Local ready
Direct docking supported
|
|
E3L019591
BDB019591
|
US10807959, Example 20
COc1cc(OC)cc(C(C)NC(=O)c2cc(CNC3=NCCN3)cc(-c3cnccc3C)c2)c1
|
C27H31N5O3 473.577000 |
MSCXJTMDQLDZMM-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468751; PubChem:CID146370994
|
Local ready
Direct docking supported
|
|
E3L019592
BDB019592
|
US10807959, Example 21
COc1ccnc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3ccnc(C)c3)c2)c1
|
C24H26N6O2 430.512000 |
DBDCPLDUOVLPLU-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468752; PubChem:CID146370904
|
Local ready
Direct docking supported
|
|
E3L019593
BDB019593
|
US10807959, Example 22
Cc1cc(-c2cc(CNC3=NCCN3)cc(C(=O)NCc3cc(Cl)ccn3)c2)ccn1
|
C23H23ClN6O 434.931000 |
GGCRQQRXJISFDH-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468753; PubChem:CID146370791
|
Local ready
Direct docking supported
|
|
E3L019594
BDB019594
|
US10807959, Example 23
COc1ccc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3ccnc(C)c3)c2)cc1Cl
|
C25H26ClN5O2 463.969000 |
VBCIFJGPJMOHLD-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468754; PubChem:CID146370724
|
Local ready
Direct docking supported
|
|
E3L019595
BDB019595
|
US10807959, Example 24
Cc1ccncc1-c1cc(CNC2=NCCN2)cc(C(=O)NCc2cc(F)cc(Cl)c2)c1
|
C24H23ClFN5O 451.933000 |
GVGKNOIQPDRMNV-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468755; PubChem:CID146370758
|
Local ready
Direct docking supported
|
|
E3L019596
BDB019596
|
US10807959, Example 25
Cc1ccnc(C(NC(=O)c2cc(CNC3=NCCN3)cc(-c3cnccc3C)c2)C2CC2)c1
|
C27H30N6O 454.578000 |
YRULKHGFIWOREI-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468756; PubChem:CID146370893
|
Local ready
Direct docking supported
|
|
E3L019597
BDB019597
|
US10807959, Example 26
Cc1ccc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3ccnc(C)c3)c2)cn1
|
C24H26N6O 414.513000 |
CVDYLYARWPZCQA-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468757; PubChem:CID146371022
|
Local ready
Direct docking supported
|
|
E3L019598
BDB019598
|
US10807959, Example 27
Cc1cc(-c2cc(CNC3=NCCN3)cc(C(=O)NCc3ccc(Cl)cn3)c2)ccn1
|
C23H23ClN6O 434.931000 |
OOVKOIOBSWDQNL-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468758; PubChem:CID146370767
|
Local ready
Direct docking supported
|
|
E3L019599
BDB019599
|
US10807959, Example 28
Cc1ccc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3cnccc3C)c2)cn1
|
C24H26N6O 414.513000 |
SBKBYEZLIDCKEV-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468759; PubChem:CID146370779
|
Local ready
Direct docking supported
|
|
E3L019600
BDB019600
|
US10807959, Example 29
Cc1cc(-c2cc(CNC3=NCCN3)cc(C(=O)NCc3nccc(C)n3)c2)ccn1
|
C23H25N7O 415.501000 |
AFTFTDWMJRYIBG-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468760; PubChem:CID146370954
|
Local ready
Direct docking supported
|