| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L018581
BDB018581
|
US10617680, Example 382
CN(C)CCCOc1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3cccc(C4CC4)c3C#N)c2)cn1
|
C29H30N6O2 494.599000 |
LQSVJLWKMOSGOU-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM437648; PubChem:CID135355149
|
Local ready
Direct docking supported
|
|
E3L018582
BDB018582
|
US10617680, Example 383
COc1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3cccc(C4CC4)c3C#N)c2)cn1
|
C25H21N5O2 423.476000 |
NMMUVOFNAMMIPQ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM437649; PubChem:CID135355459
|
Local ready
Direct docking supported
|
|
E3L018583
BDB018583
|
US10617680, Example 384
CCOc1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3cccc(C4CC4)c3C#N)c2)cn1
|
C26H23N5O2 437.503000 |
FNZMRDNVSLJQEQ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM437650; PubChem:CID135355549
|
Local ready
Direct docking supported
|
|
E3L018584
BDB018584
|
US10617680, Example 385
CCCn1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3cccc(C4CC4)c3C#N)c2)cc1=O
|
C27H25N5O2 451.530000 |
WPWRCNQOQBJYRY-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM437651; PubChem:CID135355405
|
Local ready
Direct docking supported
|
|
E3L018585
BDB018585
|
US10617680, Example 386
CCn1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3cccc(C4CC4)c3C#N)c2)cc1=O
|
C26H23N5O2 437.503000 |
UKMKWGZCYZJTIS-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM437652; PubChem:CID135355216
|
Local ready
Direct docking supported
|
|
E3L018586
BDB018586
|
US10617680, Example 387
Cn1cc(-c2cnn(-c3cccc(C4CC4)c3C#N)c2)c(-c2ccc(OCCF)nc2)cc1=O
|
C26H22FN5O2 455.493000 |
ZSGRMMGFRQFHOX-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM437653; PubChem:CID135355379
|
Local ready
Direct docking supported
|
|
E3L018587
BDB018587
|
US10617680, Example 388
Cn1cc(-c2cnn(-c3cccc(C4CC4)c3C#N)c2)c(-c2ccn(C3CC3)c(=O)c2)cc1=O
|
C27H23N5O2 449.514000 |
RVBGJTMWJQYFIB-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM437654; PubChem:CID135355656
|
Local ready
Direct docking supported
|
|
E3L018588
BDB018588
|
US10617680, Example 389
Cn1cc(-c2cnn(-c3cccc(C4CC4)c3C#N)c2)c(-c2ccn(CCF)c(=O)c2)cc1=O
|
C26H22FN5O2 455.493000 |
YEGADZAHSZNVDK-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM437655; PubChem:CID135355140
|
Local ready
Direct docking supported
|
|
E3L018589
BDB018589
|
US10617680, Example 390
Cn1cc(-c2cnn(-c3cccc(C4CC4)c3C#N)c2)c(-c2ccn(CCO)c(=O)c2)cc1=O
|
C26H23N5O3 453.502000 |
ZVYDKFWBSOEWTD-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM437656; PubChem:CID135355212
|
Local ready
Direct docking supported
|
|
E3L018590
BDB018590
|
US10617680, Example 391
Cn1cc(-c2cnn(-c3cccc(C4CC4)c3C#N)c2)c(-c2ccc(OCC3CC3)nc2)cc1=O
|
C28H25N5O2 463.541000 |
UCEJTNHZEPDTDT-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM437657; PubChem:CID135355253
|
Local ready
Direct docking supported
|
|
E3L018591
BDB018591
|
US10617680, Example 392
CCOc1cc(=O)n(C)cc1-c1cnn2c1CN(S(C)(=O)=O)CC2
|
C15H20N4O4S 352.416000 |
WMVJHZIZWNPUSM-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM437658; PubChem:CID135355154
|
Local ready
Direct docking supported
|
|
E3L018592
BDB018592
|
US10617680, Example 393
CCOc1cc(=O)n(C)cc1-c1cnn2c1CN(C(C)=O)CC2
|
C16H20N4O3 316.361000 |
XTCDLAYUPZQBHP-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM437659; PubChem:CID135355280
|
Local ready
Direct docking supported
|
|
E3L018593
BDB018593
|
US10617680, Example 394
Cn1cc(-c2cnc(-c3ccccc3)o2)c(-c2ccccc2)cc1=O
|
C21H16N2O2 328.371000 |
YBTINYLTXXXTAF-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM437660; PubChem:CID135355143
|
Local ready
Direct docking supported
|
|
E3L018594
BDB018594
|
US10617680, Example 395
Cn1nc(-c2cn(C)c(=O)cc2-c2ccccc2)cc1-c1ccccc1
|
C22H19N3O 341.414000 |
OWXIJBYONQTCFZ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM437661; PubChem:CID135355584
|
Local ready
Direct docking supported
|
|
E3L018595
BDB018595
|
US10617680, Example 396
Cn1cc(-c2coc(-c3ccccc3)n2)c(-c2ccccc2)cc1=O
|
C21H16N2O2 328.371000 |
MPHMMKMEFMUCPY-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM437662; PubChem:CID135355512
|
Local ready
Direct docking supported
|
|
E3L018596
BDB018596
|
BDBM437979
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n21
|
C32H36FN7O4 601.683000 |
GKIKQDMEYSGJKQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM437979; PubChem:CID140912460
|
Local ready
Direct docking supported
|
|
E3L018597
BDB018597
|
BDBM437980
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C3COC(C)(C)N3C(=O)OC(C)(C)C)n21
|
C32H36FN7O5 617.682000 |
JHTJTHLEEMIMBT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM437980
|
Local ready
Direct docking supported
|
|
E3L018598
BDB018598
|
BDBM437981
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C3CCNCC3)n21
|
C27H28FN7O2 501.566000 |
WLUPKAOGNFQUNJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM437981; PubChem:CID140912446
|
Local ready
Direct docking supported
|
|
E3L018599
BDB018599
|
BDBM437985
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C3COC(C)(C)N3)n21
|
C27H28FN7O3 517.565000 |
JGAXVLCYYAVBSP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM437985; PubChem:CID140912424
|
Local ready
Direct docking supported
|
|
E3L018600
BDB018600
|
BDBM437990
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C3CCCN3C(=O)OC(C)(C)C)n21
|
C31H34FN7O4 587.656000 |
AOXOTENRHJQCAC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM437990; PubChem:CID140912436
|
Local ready
Direct docking supported
|