| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L021081
BDB021081
|
US11058688, Example 114
CC(=O)N1CCn2c(C3CC3)nc(N3CCCc4cc(-c5ccncc5)ccc43)c2C1
|
C25H27N5O 413.525000 |
VVZRMVWLUGHSAR-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511415; PubChem:CID139530475
|
Local ready
Direct docking supported
|
|
E3L021082
BDB021082
|
US11058688, Example 115
CC(=O)N1CCn2c(C3CC3)nc(N3CCCc4cc(-c5cnn(CC6CC6)c5)ccc43)c2C1
|
C27H32N6O 456.594000 |
KMKZZABMJKXRNA-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511416; PubChem:CID139530466
|
Local ready
Direct docking supported
|
|
E3L021083
BDB021083
|
US11058688, Example 116
CC(=O)N1CCn2c(C3CC3)nc(N3CCCc4cc(-c5cnn(Cc6ccccn6)c5)ccc43)c2C1
|
C29H31N7O 493.615000 |
MXXJJUZMPACESY-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511417; PubChem:CID139530348
|
Local ready
Direct docking supported
|
|
E3L021084
BDB021084
|
US11058688, Example 117
CNC(=O)c1cc(-c2ccc3c(c2)CCCN3c2nc(C3CC3)n3c2CN(C(C)=O)CC3)ccn1
|
C27H30N6O2 470.577000 |
IRLRZMPMRMGVEF-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511418; PubChem:CID139530350
|
Local ready
Direct docking supported
|
|
E3L021085
BDB021085
|
US11058688, Example 118
CC(=O)N1CCn2c(C3CC3)nc(N3CCCc4cc(-c5ccnc(C(F)(F)F)c5)ccc43)c2C1
|
C26H26F3N5O 481.522000 |
JRGIAOKQTZGBMZ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511419; PubChem:CID139530426
|
Local ready
Direct docking supported
|
|
E3L021086
BDB021086
|
US11058688, Example 119
CC(=O)N1CCn2c(C3CC3)nc(N3CCCc4cc(-c5cnn(C6CCC6)c5)ccc43)c2C1
|
C27H32N6O 456.594000 |
LBNVFIAAXXAQHO-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511420; PubChem:CID139530366
|
Local ready
Direct docking supported
|
|
E3L021087
BDB021087
|
US11058688, Example 120
CC(=O)N1CCn2c(C3CC3)nc(N3CCCc4cc(-c5cccc(S(N)(=O)=O)c5)ccc43)c2C1
|
C26H29N5O3S 491.617000 |
XPMZTCFYTIIQET-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511422; PubChem:CID139530506
|
Local ready
Direct docking supported
|
|
E3L021088
BDB021088
|
US11058688, Example 121
CC(=O)N1CCn2c(C3CC3)nc(N3CCCc4cc(-c5cnn(CCO)c5)ccc43)c2C1
|
C25H30N6O2 446.555000 |
FVSSRAGTNRMIEB-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511423; PubChem:CID139530460
|
Local ready
Direct docking supported
|
|
E3L021089
BDB021089
|
US11058688, Example 122
CC(=O)N1CCn2c(C3CC3)nc(N3CCCc4cc(-c5ccn(CCC6CCOCC6)c5)ccc43)c2C1
|
C31H39N5O2 513.686000 |
ZXHVUOVOWNHALP-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511424; PubChem:CID139543429
|
Local ready
Direct docking supported
|
|
E3L021090
BDB021090
|
US11058688, Example 123
CC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c2C1
|
C27H28F2N6O2 506.557000 |
OHJARXZJNNTONX-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511425; PubChem:CID139543520
|
Local ready
Direct docking supported
|
|
E3L021091
BDB021091
|
US11058688, Example 125
CNC(=O)N1Cc2c(-c3cccc4cc(-c5cnn(C)c5)ncc34)nc(C3CC3)n2CC1C
|
C25H27N7O 441.539000 |
NUQRVXYYPAMDJY-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511427; PubChem:CID139530470
|
Local ready
Direct docking supported
|
|
E3L021092
BDB021092
|
US11058688, Example 126
CNC(=O)N1Cc2c(-c3cccc4cc(-c5cnn(C)c5)ncc34)nc(C3CC3)n2C(C)C1
|
C25H27N7O 441.539000 |
PJBPWEQRUDPPSW-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511428; PubChem:CID139530446
|
Local ready
Direct docking supported
|
|
E3L021093
BDB021093
|
BDBM511594
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3OC)nc2N1C1CCCC1
|
C41H47N9O9 809.881000 |
IMDNKQXWGGVELD-QXPUDEPPSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511594
|
Local ready
Direct docking supported
|
|
E3L021094
BDB021094
|
BDBM511595
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2
|
C36H33ClN8O7S 757.229000 |
GYXAATIUVYEJQN-UXMRNZNESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511595
|
Local ready
Direct docking supported
|
|
E3L021095
BDB021095
|
BDBM511596
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@H](CC(=O)NCCCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2
|
C38H37ClN8O7S 785.283000 |
LKEGXJXRNBALBV-DCWQJPKNSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511596
|
Local ready
Direct docking supported
|
|
E3L021096
BDB021096
|
BDBM511597
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2
|
C40H41ClN8O7S 813.337000 |
WAVOEVFKPHUSDB-MBMZGMDYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511597
|
Local ready
Direct docking supported
|
|
E3L021097
BDB021097
|
BDBM511599
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NCCCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3OC)nc2N1C1CCCC1
|
C43H51N9O9 837.935000 |
PEAFNQVFNPFMJQ-IDCGIGBZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511599
|
Local ready
Direct docking supported
|
|
E3L021098
BDB021098
|
BDBM511600
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NCCCCCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3OC)nc2N1C1CCCC1
|
C45H55N9O9 865.989000 |
DSWQBZBOYMTXMP-XGDNGBMYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511600
|
Local ready
Direct docking supported
|
|
E3L021099
BDB021099
|
BDBM511601
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCOCCOCCOCCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2
|
C44H49ClN8O10S 917.442000 |
RFDBAEYXGSDEIK-CYZZXXEPSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511601
|
Local ready
Direct docking supported
|
|
E3L021100
BDB021100
|
BDBM511602
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NCCCOCCOCCOCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3OC)nc2N1C1CCCC1
|
C47H59N9O12 942.040000 |
IWBBXOOPRPDUIL-BONSOQDYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM511602
|
Local ready
Direct docking supported
|