| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L024341
BDB024341
|
US11274090, Example 106 Isomer 2
C[C@H](CN[C@@H](C(=O)Nc1ccc(-c2cc(=O)n(C)cn2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C28H26N6O2 478.556000 |
IAAVLAHPJUPJCF-XHCCPWGMSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542328; PubChem:CID164515082
|
Local ready
Direct docking supported
|
|
E3L024342
BDB024342
|
US11274090, Example 107 Isomer 1
Cc1nc(-c2ccc(NC(=O)[C@H](NC[C@H](C)c3ccc(C#N)cc3)c3ccccc3)nc2)no1
|
C26H24N6O2 452.518000 |
SMKDVYXRUJWTBD-BXKMTCNYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542329; PubChem:CID164515083
|
Local ready
Direct docking supported
|
|
E3L024343
BDB024343
|
US11274090, Example 107 Isomer 2
Cc1nc(-c2ccc(NC(=O)[C@H](NC[C@@H](C)c3ccc(C#N)cc3)c3ccccc3)nc2)no1
|
C26H24N6O2 452.518000 |
SMKDVYXRUJWTBD-MZNJEOGPSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542330; PubChem:CID156293417
|
Local ready
Direct docking supported
|
|
E3L024344
BDB024344
|
US11274090, Example 108 Isomer 1
C[C@@H](CN[C@@H](C(=O)Nc1ccc(N2CCN(C)S2(=O)=O)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C26H28N6O3S 504.616000 |
XSMIFSLKPSDHSE-UQBPGWFLSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542331; PubChem:CID164515084
|
Local ready
Direct docking supported
|
|
E3L024345
BDB024345
|
US11274090, Example 108 Isomer 2
C[C@H](CN[C@@H](C(=O)Nc1ccc(N2CCN(C)S2(=O)=O)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C26H28N6O3S 504.616000 |
XSMIFSLKPSDHSE-KBMIEXCESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542332; PubChem:CID156293415
|
Local ready
Direct docking supported
|
|
E3L024346
BDB024346
|
US11274090, Example 108 Isomer 3
C[C@@H](CN[C@H](C(=O)Nc1ccc(N2CCN(C)S2(=O)=O)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C26H28N6O3S 504.616000 |
XSMIFSLKPSDHSE-DFBJGRDBSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542333; PubChem:CID164515085
|
Local ready
Direct docking supported
|
|
E3L024347
BDB024347
|
US11274090, Example 108 Isomer 4
C[C@H](CN[C@H](C(=O)Nc1ccc(N2CCN(C)S2(=O)=O)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C26H28N6O3S 504.616000 |
XSMIFSLKPSDHSE-CLOONOSVSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542334; PubChem:CID139426049
|
Local ready
Direct docking supported
|
|
E3L024348
BDB024348
|
US11274090, Example 109 Isomer 1
C[C@@H](CN[C@@H](C(=O)Nc1ccc(C2CC(=O)N(C)C2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C28H29N5O2 467.573000 |
MKXSRLMGJRPXLK-WWIFXDDTSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542335; PubChem:CID164515086
|
Local ready
Direct docking supported
|
|
E3L024349
BDB024349
|
US11274090, Example 109 Isomer 2
C[C@H](CN[C@@H](C(=O)Nc1ccc(C2CC(=O)N(C)C2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C28H29N5O2 467.573000 |
MKXSRLMGJRPXLK-GMMDXNFMSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542336; PubChem:CID156293872
|
Local ready
Direct docking supported
|
|
E3L024350
BDB024350
|
US11274090, Example 109 Isomer 4
C[C@H](CN[C@H](C(=O)Nc1ccc(C2CC(=O)N(C)C2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C28H29N5O2 467.573000 |
MKXSRLMGJRPXLK-FZPGJJMXSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542338; PubChem:CID139426052
|
Local ready
Direct docking supported
|
|
E3L024351
BDB024351
|
US11274090, Example 110 Isomer 1
Cn1cc(-c2ccc(NC(=O)[C@@H](NCCc3ccc(C#N)cc3)c3ccccc3F)nc2)cn1
|
C26H23FN6O 454.509000 |
RUXFNGAPWMLIEQ-VWLOTQADSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542339; PubChem:CID139426079
|
Local ready
Direct docking supported
|
|
E3L024352
BDB024352
|
US11274090, Example 110 Isomer 2
Cn1cc(-c2ccc(NC(=O)[C@H](NCCc3ccc(C#N)cc3)c3ccccc3F)nc2)cn1
|
C26H23FN6O 454.509000 |
RUXFNGAPWMLIEQ-RUZDIDTESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542340; PubChem:CID156273065
|
Local ready
Direct docking supported
|
|
E3L024353
BDB024353
|
US11274090, Example 111 Isomer 1
Cn1cc(-c2ccc(NC(=O)[C@@H](NCCc3ccc(C#N)cc3)c3cccc(F)c3)nc2)cn1
|
C26H23FN6O 454.509000 |
UWJXDHWBSXCZEJ-VWLOTQADSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542341; PubChem:CID139426057
|
Local ready
Direct docking supported
|
|
E3L024354
BDB024354
|
US11274090, Example 111 Isomer 2
Cn1cc(-c2ccc(NC(=O)[C@H](NCCc3ccc(C#N)cc3)c3cccc(F)c3)nc2)cn1
|
C26H23FN6O 454.509000 |
UWJXDHWBSXCZEJ-RUZDIDTESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542342; PubChem:CID156273030
|
Local ready
Direct docking supported
|
|
E3L024355
BDB024355
|
US11274090, Example 112 Isomer 1
Cn1cc(-c2ccc(NC(=O)[C@@H](NCCc3ccc(C#N)cc3)c3ccc(F)cc3)nc2)cn1
|
C26H23FN6O 454.509000 |
GPFNYJBVYNNRMN-VWLOTQADSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542343; PubChem:CID164515087
|
Local ready
Direct docking supported
|
|
E3L024356
BDB024356
|
US11274090, Example 112 Isomer 2
Cn1cc(-c2ccc(NC(=O)[C@H](NCCc3ccc(C#N)cc3)c3ccc(F)cc3)nc2)cn1
|
C26H23FN6O 454.509000 |
GPFNYJBVYNNRMN-RUZDIDTESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542344; PubChem:CID156273042
|
Local ready
Direct docking supported
|
|
E3L024357
BDB024357
|
US11274090, Example 113 Isomer 1
Cc1nn(C)cc1-c1ccc(NC(=O)[C@H](NC[C@H](C)c2ccc(C#N)cc2)c2ccccc2)nc1
|
C28H28N6O 464.573000 |
NHKFLKASNXUHCJ-UZTOHYMASA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542345; PubChem:CID164515088
|
Local ready
Direct docking supported
|
|
E3L024358
BDB024358
|
US11274090, Example 113 Isomer 2
Cc1nn(C)cc1-c1ccc(NC(=O)[C@H](NC[C@@H](C)c2ccc(C#N)cc2)c2ccccc2)nc1
|
C28H28N6O 464.573000 |
NHKFLKASNXUHCJ-XHCCPWGMSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542346; PubChem:CID156293909
|
Local ready
Direct docking supported
|
|
E3L024359
BDB024359
|
US11274090, Example 114 Isomer 1
Cc1c(-c2ccc(NC(=O)[C@H](NC[C@H](C)c3ccc(C#N)cc3)c3ccccc3)nc2)cnn1C
|
C28H28N6O 464.573000 |
LVFBAGBDMLSWSU-UZTOHYMASA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542347; PubChem:CID164515089
|
Local ready
Direct docking supported
|
|
E3L024360
BDB024360
|
US11274090, Example 114 Isomer 2
Cc1c(-c2ccc(NC(=O)[C@H](NC[C@@H](C)c3ccc(C#N)cc3)c3ccccc3)nc2)cnn1C
|
C28H28N6O 464.573000 |
LVFBAGBDMLSWSU-XHCCPWGMSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542348; PubChem:CID156293908
|
Local ready
Direct docking supported
|