| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L024321
BDB024321
|
US11274090, Example 100 Isomer 2
C[C@H](CN[C@@H](C(=O)Nc1ccc(-c2cn(C)nn2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C26H25N7O 451.534000 |
XURSGTLGXYUIFH-IQGLISFBSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542308; PubChem:CID156293356
|
Local ready
Direct docking supported
|
|
E3L024322
BDB024322
|
US11274090, Example 100 Isomer 3
C[C@@H](CN[C@H](C(=O)Nc1ccc(-c2cn(C)nn2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C26H25N7O 451.534000 |
XURSGTLGXYUIFH-BVZFJXPGSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542309; PubChem:CID156054589
|
Local ready
Direct docking supported
|
|
E3L024323
BDB024323
|
US11274090, Example 100 Isomer 4
C[C@H](CN[C@H](C(=O)Nc1ccc(-c2cn(C)nn2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C26H25N7O 451.534000 |
XURSGTLGXYUIFH-CJAUYULYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542310; PubChem:CID139425914
|
Local ready
Direct docking supported
|
|
E3L024324
BDB024324
|
US11274090, Example 101 Isomer 1
C[C@@H](CN[C@@H](C(=O)Nc1ccc(N2CCN(C)C(=O)C2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C28H30N6O2 482.588000 |
PDIFLYPBZYFFAF-CCLHPLFOSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542311; PubChem:CID156293837
|
Local ready
Direct docking supported
|
|
E3L024325
BDB024325
|
US11274090, Example 101 Isomer 2
C[C@H](CN[C@@H](C(=O)Nc1ccc(N2CCN(C)C(=O)C2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C28H30N6O2 482.588000 |
PDIFLYPBZYFFAF-NFQMXDRXSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542312; PubChem:CID156293836
|
Local ready
Direct docking supported
|
|
E3L024326
BDB024326
|
US11274090, Example 101 Isomer 3
C[C@@H](CN[C@H](C(=O)Nc1ccc(N2CCN(C)C(=O)C2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C28H30N6O2 482.588000 |
PDIFLYPBZYFFAF-DCFHFQCYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542313; PubChem:CID139425919
|
Local ready
Direct docking supported
|
|
E3L024327
BDB024327
|
US11274090, Example 101 Isomer 4
C[C@H](CN[C@H](C(=O)Nc1ccc(N2CCN(C)C(=O)C2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C28H30N6O2 482.588000 |
PDIFLYPBZYFFAF-HRFSGMKKSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542314; PubChem:CID139425921
|
Local ready
Direct docking supported
|
|
E3L024328
BDB024328
|
US11274090, Example 102 Isomer 1
CCN1CCN(c2ccc(NC(=O)[C@H](NC[C@H](C)c3ccc(C#N)cc3)c3ccccc3)nc2)CC1=O
|
C29H32N6O2 496.615000 |
ZUODCFCFHSOUIO-RBTNQOKQSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542315; PubChem:CID164515079
|
Local ready
Direct docking supported
|
|
E3L024329
BDB024329
|
US11274090, Example 102 Isomer 2
CCN1CCN(c2ccc(NC(=O)[C@H](NC[C@@H](C)c3ccc(C#N)cc3)c3ccccc3)nc2)CC1=O
|
C29H32N6O2 496.615000 |
ZUODCFCFHSOUIO-LYZGTLIUSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542316; PubChem:CID156293393
|
Local ready
Direct docking supported
|
|
E3L024330
BDB024330
|
US11274090, Example 103 Isomer 1
C[C@@H](CN[C@@H](C(=O)Nc1ccc(N2CCN(CC(F)(F)F)C(=O)C2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C29H29F3N6O2 550.585000 |
YJHMUVMGHRJNNG-CCLHPLFOSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542317; PubChem:CID156293389
|
Local ready
Direct docking supported
|
|
E3L024331
BDB024331
|
US11274090, Example 103 Isomer 2
C[C@H](CN[C@@H](C(=O)Nc1ccc(N2CCN(CC(F)(F)F)C(=O)C2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C29H29F3N6O2 550.585000 |
YJHMUVMGHRJNNG-NFQMXDRXSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542318; PubChem:CID156293390
|
Local ready
Direct docking supported
|
|
E3L024332
BDB024332
|
US11274090, Example 103 Isomer 3
C[C@@H](CN[C@H](C(=O)Nc1ccc(N2CCN(CC(F)(F)F)C(=O)C2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C29H29F3N6O2 550.585000 |
YJHMUVMGHRJNNG-DCFHFQCYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542319; PubChem:CID139425894
|
Local ready
Direct docking supported
|
|
E3L024333
BDB024333
|
US11274090, Example 103 Isomer 4
C[C@H](CN[C@H](C(=O)Nc1ccc(N2CCN(CC(F)(F)F)C(=O)C2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C29H29F3N6O2 550.585000 |
YJHMUVMGHRJNNG-HRFSGMKKSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542320; PubChem:CID139425923
|
Local ready
Direct docking supported
|
|
E3L024334
BDB024334
|
US11274090, Example 104 Isomer 1
C[C@@H](CN[C@@H](C(=O)Nc1ccc(-c2cn[nH]c2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C26H24N6O 436.519000 |
WCCYIBYEWDJHQA-AVRWGWEMSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542321; PubChem:CID156293439
|
Local ready
Direct docking supported
|
|
E3L024335
BDB024335
|
US11274090, Example 104 Isomer 2
C[C@H](CN[C@@H](C(=O)Nc1ccc(-c2cn[nH]c2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C26H24N6O 436.519000 |
WCCYIBYEWDJHQA-IQGLISFBSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542322; PubChem:CID156293440
|
Local ready
Direct docking supported
|
|
E3L024336
BDB024336
|
US11274090, Example 104 Isomer 3
C[C@@H](CN[C@H](C(=O)Nc1ccc(-c2cn[nH]c2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C26H24N6O 436.519000 |
WCCYIBYEWDJHQA-BVZFJXPGSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542323; PubChem:CID139425911
|
Local ready
Direct docking supported
|
|
E3L024337
BDB024337
|
US11274090, Example 104 Isomer 4
C[C@H](CN[C@H](C(=O)Nc1ccc(-c2cn[nH]c2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C26H24N6O 436.519000 |
WCCYIBYEWDJHQA-CJAUYULYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542324; PubChem:CID139425896
|
Local ready
Direct docking supported
|
|
E3L024338
BDB024338
|
US11274090, Example 105 Isomer 1
C[C@@H](CN[C@@H](C(=O)Nc1ccc(-c2ccn(C)c(=O)c2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C29H27N5O2 477.568000 |
BHUHSISLDODJAU-WTYVLRPYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542325; PubChem:CID164515080
|
Local ready
Direct docking supported
|
|
E3L024339
BDB024339
|
US11274090, Example 105 Isomer 2
C[C@H](CN[C@@H](C(=O)Nc1ccc(-c2ccn(C)c(=O)c2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C29H27N5O2 477.568000 |
BHUHSISLDODJAU-PIIWDFAUSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542326; PubChem:CID156293416
|
Local ready
Direct docking supported
|
|
E3L024340
BDB024340
|
US11274090, Example 106 Isomer 1
C[C@@H](CN[C@@H](C(=O)Nc1ccc(-c2cc(=O)n(C)cn2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C28H26N6O2 478.556000 |
IAAVLAHPJUPJCF-UZTOHYMASA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542327; PubChem:CID164515081
|
Local ready
Direct docking supported
|