| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042421
BDB042421
|
US12453731, Example 62
CC(C)C(N)C(=O)Nc1ccc(-c2ccc(N3CCN(C)CC3)c(Nc3ncnc(Cl)c3N)c2F)cc1
|
C26H32ClFN8O 527.048000 |
VTNNWFLXABZAJQ-UHFFFAOYSA-N | P61964, Q03164 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM783482; PubChem:CID164769786
|
Local ready
Direct docking supported
|
|
E3L042422
BDB042422
|
US12453731, Example 63
CC(C)CC(=O)C(=O)Nc1ccc(-c2ccc(N3CCN(C)CC3)c(Nc3ncnc(Cl)c3N)c2F)cc1
|
C27H31ClFN7O2 540.043000 |
SWNWTOCKGIFUCM-UHFFFAOYSA-N | P61964, Q03164 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM783483; PubChem:CID164769792
|
Local ready
Direct docking supported
|
|
E3L042423
BDB042423
|
US12453731, Example 64
CN1CCN(c2ccc(-c3ccc(NC(=O)CN)cc3)c(F)c2Nc2ncnc(Cl)c2N)CC1
|
C23H26ClFN8O 484.967000 |
CAQPQQPPGXZHSQ-UHFFFAOYSA-N | P61964, Q03164 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM783484; PubChem:CID164769776
|
Local ready
Direct docking supported
|
|
E3L042424
BDB042424
|
US12453731, Example 65
Cc1c(-c2ccc(C(=O)N(C)C)cc2)ccc(N2CCN(C)CC2)c1Nc1ncnc(Cl)c1N
|
C25H30ClN7O 480.016000 |
YUEFSBOPWLJTFW-UHFFFAOYSA-N | P61964, Q03164 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM783485; PubChem:CID164769799
|
Local ready
Direct docking supported
|
|
E3L042425
BDB042425
|
US12453731, Example 66
COC(=O)c1ccc(-c2cc(Nc3ncnc(Cl)c3N)c(N3CCN(C)CC3)cc2F)cc1
|
C23H24ClFN6O2 470.936000 |
OJKKQFXKCBBMPW-UHFFFAOYSA-N | P61964, Q03164 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM783486; PubChem:CID141755777
|
Local ready
Direct docking supported
|
|
E3L042426
BDB042426
|
US12453731, Example 67
CN1CCN(c2cc(F)c(-c3ccc(C(=O)N4CCOCC4)cc3)cc2Nc2ncnc(Cl)c2N)CC1
|
C26H29ClFN7O2 526.016000 |
SEBSJBBYOATKQX-UHFFFAOYSA-N | P61964, Q03164 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM783487; PubChem:CID164769772
|
Local ready
Direct docking supported
|
|
E3L042427
BDB042427
|
US12453731, Example 68
CN1CCN(c2cc(F)c(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2Nc2ncnc(Cl)c2N)CC1
|
C28H34ClFN8O2 569.085000 |
PNWAJVNRSZEPFF-UHFFFAOYSA-N | P61964, Q03164 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM783488; PubChem:CID164769773
|
Local ready
Direct docking supported
|
|
E3L042428
BDB042428
|
US12453731, Example 69
CN1CCN(c2cc(F)c(-c3ccc(C(=O)NCCCN4CCOCC4)cc3)cc2Nc2ncnc(Cl)c2N)CC1
|
C29H36ClFN8O2 583.112000 |
FWDRJYGPZPFXRZ-UHFFFAOYSA-N | P61964, Q03164 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM783489; PubChem:CID164769782
|
Local ready
Direct docking supported
|
|
E3L042429
BDB042429
|
US12453731, Example 70
CN1CCN(c2cc(F)c(-c3ccc(C(=O)N4CCC(O)CC4)cc3)cc2Nc2ncnc(Cl)c2N)CC1
|
C27H31ClFN7O2 540.043000 |
ZGWVPOSXAHNPBT-UHFFFAOYSA-N | P61964, Q03164 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM783490; PubChem:CID164769800
|
Local ready
Direct docking supported
|
|
E3L042430
BDB042430
|
US12453731, Example 71
CN1CCN(c2cc(F)c(-c3ccc(C(=O)NCC4CCOCC4)cc3)cc2Nc2ncnc(Cl)c2N)CC1
|
C28H33ClFN7O2 554.070000 |
DBTFGUYEOYZWKT-UHFFFAOYSA-N | P61964, Q03164 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM783491; PubChem:CID163509829
|
Local ready
Direct docking supported
|
|
E3L042431
BDB042431
|
US12453731, Example 73
COC(=O)c1ccc(-c2cc(Nc3ncnc(Cl)c3N)c(N3CCN(C)CC3)cc2C)cc1
|
C24H27ClN6O2 466.973000 |
NKYSPBKTVBYALX-UHFFFAOYSA-N | P61964, Q03164 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM783493; PubChem:CID141755770
|
Local ready
Direct docking supported
|
|
E3L042432
BDB042432
|
US12453731, Example 74
Cc1cc(N2CCN(C)CC2)c(Nc2ncnc(Cl)c2N)cc1-c1ccc(C(=O)NCCCN2CCOCC2)cc1
|
C30H39ClN8O2 579.149000 |
IQAGAKRAPUXXDQ-UHFFFAOYSA-N | P61964, Q03164 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM783494; PubChem:CID164769796
|
Local ready
Direct docking supported
|
|
E3L042433
BDB042433
|
Lotixparib
N#Cc1ccc(N2CCN(CCCc3cc4cccc(F)c4c(=O)[nH]3)CC2)cc1
|
C23H23FN4O 390.462000 |
LEXVZEFLIXAAMV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783809; PubChem:CID156317961
|
Local ready
Direct docking supported
|
|
E3L042434
BDB042434
|
Lotixparib
N#Cc1ccc(N2CCN(CCCc3cc4cccc(F)c4c(=O)[nH]3)CC2)cc1
|
C23H23FN4O 390.462000 |
LEXVZEFLIXAAMV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783810; PubChem:CID156317961
|
Local ready
Direct docking supported
|
|
E3L042435
BDB042435
|
US12459899, Example 8
N#Cc1ccc(N2CCN(CCCc3cc4ccc(F)cc4c(=O)[nH]3)CC2)cc1
|
C23H23FN4O 390.462000 |
VHCWSJISSNTXIL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783818; PubChem:CID156319006
|
Local ready
Direct docking supported
|
|
E3L042436
BDB042436
|
US12459899, Example 15
O=c1[nH]c(CCCN2CCN(c3ccc(F)cc3)CC2)cc2ccc(F)cc12
|
C22H23F2N3O 383.442000 |
YSHSZRTYEXCERR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783820; PubChem:CID156318332
|
Local ready
Direct docking supported
|
|
E3L042437
BDB042437
|
US12459899, Example 21
Cc1ccc(F)c2c(=O)[nH]c(CCCN3CCN(c4ccc(C#N)nc4)CC3)cc12
|
C23H24FN5O 405.477000 |
YDHJXMBQMLTXOQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783822; PubChem:CID156317924
|
Local ready
Direct docking supported
|
|
E3L042438
BDB042438
|
US12459899, Example 22
Cc1ccc(F)c2c(=O)[nH]c(CCCN3CCN(c4ccc(C#N)cn4)CC3)cc12
|
C23H24FN5O 405.477000 |
KTTIPNUQTQAVIP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783824; PubChem:CID156318383
|
Local ready
Direct docking supported
|
|
E3L042439
BDB042439
|
US12459899, Example 23
Cc1ccc(F)c2c(=O)[nH]c(CCCN3CCN(c4ccc(C#N)cc4)CC3)cc12
|
C24H25FN4O 404.489000 |
WOERNMDJHRNJKS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783825; PubChem:CID156318318
|
Local ready
Direct docking supported
|
|
E3L042440
BDB042440
|
US12459899, Example 46
N#Cc1ccc(C2=CCN(CCCc3cc4cccc(F)c4c(=O)[nH]3)CC2)nc1
|
C23H21FN4O 388.446000 |
VEHOFFLPAJOIJY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783829; PubChem:CID156317938
|
Local ready
Direct docking supported
|