| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L021021
BDB021021
|
US11058688, Example 52
CNC(=O)N1CCn2c(C3CCNCC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
|
C25H31N9O 473.585000 |
MUBVMCQPTPFBCY-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511351; PubChem:CID139530480
|
Local ready
Direct docking supported
|
|
E3L021022
BDB021022
|
US11058688, Example 53
CC(=O)N1CCC(c2nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c3n2CCN(C(C)=O)C3)CC1
|
C27H32N8O2 500.607000 |
JKOMGWIGYRCKBQ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511352; PubChem:CID139530305
|
Local ready
Direct docking supported
|
|
E3L021023
BDB021023
|
US11058688, Example 54
CC(=O)N1CCn2c(C3CCN(C)CC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
|
C26H32N8O 472.597000 |
SLXQKSBJCOQPHD-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511353; PubChem:CID139530500
|
Local ready
Direct docking supported
|
|
E3L021024
BDB021024
|
US11058688, Example 55
CNC(=O)N1CCn2c(C3CCN(C(C)=O)CC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
|
C27H33N9O2 515.622000 |
IKGWSWGGABAJNM-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511354; PubChem:CID139530416
|
Local ready
Direct docking supported
|
|
E3L021025
BDB021025
|
US11058688, Example 56
CNC(=O)N1CCn2c(C3CCN(C)CC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
|
C26H33N9O 487.612000 |
ZKZUOKYCNRFGON-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511355; PubChem:CID139530528
|
Local ready
Direct docking supported
|
|
E3L021026
BDB021026
|
US11058688, Example 57
CNC(=O)c1ccc(-c2cc3cccc(-c4nc(C5CCOCC5)n5c4CN(C(=O)NC)CC5)c3cn2)cn1
|
C29H31N7O3 525.613000 |
CJGWAIGHWOPMFD-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511356; PubChem:CID139530291
|
Local ready
Direct docking supported
|
|
E3L021027
BDB021027
|
US11058688, Example 58
CNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c2C1
|
C26H25F4N7O 527.526000 |
NYCVEHXCFKANKC-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511357; PubChem:CID139530326
|
Local ready
Direct docking supported
|
|
E3L021028
BDB021028
|
US11058688, Example 59
CNC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c2C1
|
C28H29F4N7O 555.580000 |
OALOCZGJIZDQTC-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511358; PubChem:CID139530452
|
Local ready
Direct docking supported
|
|
E3L021029
BDB021029
|
US11058688, Example 60
CNC(=O)N1CCn2c(C3CC3(F)F)nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c2C1
|
C25H23F4N7O 513.499000 |
KWTWZXFQBWJBEU-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511359; PubChem:CID139530538
|
Local ready
Direct docking supported
|
|
E3L021030
BDB021030
|
US11058688, Example 61
CNC(=O)N1CCn2c(C3CCC(F)(F)C3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c2C1
|
C27H27F4N7O 541.553000 |
XSXDPICXXBTMAW-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511360; PubChem:CID139530346
|
Local ready
Direct docking supported
|
|
E3L021031
BDB021031
|
US11058688, Example 62
CNC(=O)N1CCn2c(C3CC3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)(F)F)cc34)c2C1
|
C25H24F3N7O 495.509000 |
YXXLKHJVALMIJW-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511361; PubChem:CID139530482
|
Local ready
Direct docking supported
|
|
E3L021032
BDB021032
|
US11058688, Example 63
CNC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4cc(N5CCOCC5)ncc34)c2C1
|
C26H32N6O3 476.581000 |
UXJMFLLBYXIYBQ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511362; PubChem:CID139530338
|
Local ready
Direct docking supported
|
|
E3L021033
BDB021033
|
US11058688, Example 64
CNC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C#N)cc34)c2C1
|
C27H28N8O2 496.575000 |
NRVPKHKXOCCHKA-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511363; PubChem:CID139530323
|
Local ready
Direct docking supported
|
|
E3L021034
BDB021034
|
US11058688, Example 65
CNC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)(F)F)cc34)c2C1
|
C27H28F3N7O2 539.562000 |
POWRIZYLHSAAHJ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511364; PubChem:CID139530472
|
Local ready
Direct docking supported
|
|
E3L021035
BDB021035
|
US11058688, Example 66
CNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3cccc4cc(N5CCOCC5)ncc34)c2C1
|
C25H28F2N6O2 482.535000 |
NSRYAMDGKGYPHL-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511365; PubChem:CID139530318
|
Local ready
Direct docking supported
|
|
E3L021036
BDB021036
|
US11058688, Example 67
CNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C#N)cc34)c2C1
|
C26H24F2N8O 502.529000 |
IQEKINOJTACCCR-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511366; PubChem:CID139530386
|
Local ready
Direct docking supported
|
|
E3L021037
BDB021037
|
US11058688, Example 68
CNC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1
|
C27H33N5O3 475.593000 |
AIXBEHKQFWXIME-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511367; PubChem:CID139530342
|
Local ready
Direct docking supported
|
|
E3L021038
BDB021038
|
US11058688, Example 69
CNC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(-c5cn(C)nc5C)ncc34)c2C1
|
C25H27N7O 441.539000 |
IPGWWLLAXVRJJW-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511368; PubChem:CID139530371
|
Local ready
Direct docking supported
|
|
E3L021039
BDB021039
|
US11058688, Example 70
CNC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4cc(-c5cn(C)nc5C)ncc34)c2C1
|
C27H31N7O2 485.592000 |
DIEAJICCJVBMQM-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511369; PubChem:CID139530395
|
Local ready
Direct docking supported
|
|
E3L021040
BDB021040
|
US11058688, Example 71
CNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3cccc4cc(-c5cn(C)nc5C)ncc34)c2C1
|
C26H27F2N7O 491.546000 |
HZXJLLFAMNQRMF-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM511370; PubChem:CID139530424
|
Local ready
Direct docking supported
|