| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L024121
BDB024121
|
US11274090, Example 15 Isomer 2
Cc1ccc(-c2ccc(NC(=O)[C@@H](NC[C@H](C)c3ccc(C#N)cc3)c3ccccc3)nc2)nn1
|
C28H26N6O 462.557000 |
WEFNYOHMOPVIBQ-PPHZAIPVSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542101; PubChem:CID164515063
|
Local ready
Direct docking supported
|
|
E3L024122
BDB024122
|
US11274090, Example 15 Isomer 3
Cc1ccc(-c2ccc(NC(=O)[C@H](NC[C@@H](C)c3ccc(C#N)cc3)c3ccccc3)nc2)nn1
|
C28H26N6O 462.557000 |
WEFNYOHMOPVIBQ-XHCCPWGMSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542102; PubChem:CID164515064
|
Local ready
Direct docking supported
|
|
E3L024123
BDB024123
|
US11274090, Example 15 Isomer 4
Cc1ccc(-c2ccc(NC(=O)[C@H](NC[C@H](C)c3ccc(C#N)cc3)c3ccccc3)nc2)nn1
|
C28H26N6O 462.557000 |
WEFNYOHMOPVIBQ-UZTOHYMASA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542103; PubChem:CID164515065
|
Local ready
Direct docking supported
|
|
E3L024124
BDB024124
|
US11274090, Example 16 Isomer 1
Cc1cn(-c2ccc(NC(=O)[C@@H](NCCc3ccc(Cl)cc3)c3ccccc3)cc2)cn1
|
C26H25ClN4O 444.966000 |
MJNOGGLZWVJTMG-VWLOTQADSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542104; PubChem:CID139426159
|
Local ready
Direct docking supported
|
|
E3L024125
BDB024125
|
US11274090, Example 16 Isomer 2
Cc1cn(-c2ccc(NC(=O)[C@H](NCCc3ccc(Cl)cc3)c3ccccc3)cc2)cn1
|
C26H25ClN4O 444.966000 |
MJNOGGLZWVJTMG-RUZDIDTESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542105; PubChem:CID156273102
|
Local ready
Direct docking supported
|
|
E3L024126
BDB024126
|
US11274090, Example 17 Isomer 1
CN1CCN(c2ccc(NC(=O)[C@@H](NCCc3ccc(Cl)cc3)c3ccccc3)cc2)CC1
|
C27H31ClN4O 463.025000 |
DDMIELMYNAYSBN-SANMLTNESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542106; PubChem:CID139426015
|
Local ready
Direct docking supported
|
|
E3L024127
BDB024127
|
US11274090, Example 17 Isomer 2
CN1CCN(c2ccc(NC(=O)[C@H](NCCc3ccc(Cl)cc3)c3ccccc3)cc2)CC1
|
C27H31ClN4O 463.025000 |
DDMIELMYNAYSBN-AREMUKBSSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542107; PubChem:CID139416972
|
Local ready
Direct docking supported
|
|
E3L024128
BDB024128
|
US11274090, Example 18 Isomer 1
CN1CCN(c2ccc(NC(=O)[C@@H](NCCc3ccc(C#N)cc3)c3ccccc3)cc2)CC1
|
C28H31N5O 453.590000 |
KZDKDTYQYAWBCK-MHZLTWQESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542108; PubChem:CID139426286
|
Local ready
Direct docking supported
|
|
E3L024129
BDB024129
|
US11274090, Example 18 Isomer 2
CN1CCN(c2ccc(NC(=O)[C@H](NCCc3ccc(C#N)cc3)c3ccccc3)cc2)CC1
|
C28H31N5O 453.590000 |
KZDKDTYQYAWBCK-HHHXNRCGSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542109; PubChem:CID156273046
|
Local ready
Direct docking supported
|
|
E3L024130
BDB024130
|
US11274090, Example 19 Isomer 1
Cn1cc(-c2ccc(NC(=O)[C@@H](NCCc3ccc(C#N)cc3)c3ccccc3)cn2)cn1
|
C26H24N6O 436.519000 |
FWUKETSVGXRKEY-VWLOTQADSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542110; PubChem:CID139426243
|
Local ready
Direct docking supported
|
|
E3L024131
BDB024131
|
US11274090, Example 20 Isomer 1
C[C@H](CN[C@H](C(=O)Nc1ccc(-c2cnn(C(F)F)c2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C27H24F2N6O 486.526000 |
KUVQLANAPSTSND-CJAUYULYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542112; PubChem:CID139426119
|
Local ready
Direct docking supported
|
|
E3L024132
BDB024132
|
US11274090, Example 20 Isomer 2
C[C@@H](CN[C@H](C(=O)Nc1ccc(-c2cnn(C(F)F)c2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C27H24F2N6O 486.526000 |
KUVQLANAPSTSND-BVZFJXPGSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542113; PubChem:CID139426134
|
Local ready
Direct docking supported
|
|
E3L024133
BDB024133
|
US11274090, Example 20 Isomer 3
C[C@H](CN[C@@H](C(=O)Nc1ccc(-c2cnn(C(F)F)c2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C27H24F2N6O 486.526000 |
KUVQLANAPSTSND-IQGLISFBSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542114; PubChem:CID156293392
|
Local ready
Direct docking supported
|
|
E3L024134
BDB024134
|
US11274090, Example 21 Isomer 1
CC(=O)N1CCN(c2ccc(NC(=O)[C@H](NCCc3ccc(Cl)cc3)c3ccccc3)cc2)CC1
|
C28H31ClN4O2 491.035000 |
RHYIWCISYPIDBM-HHHXNRCGSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542116; PubChem:CID164515066
|
Local ready
Direct docking supported
|
|
E3L024135
BDB024135
|
US11274090, Example 21 Isomer 2
CC(=O)N1CCN(c2ccc(NC(=O)[C@@H](NCCc3ccc(Cl)cc3)c3ccccc3)cc2)CC1
|
C28H31ClN4O2 491.035000 |
RHYIWCISYPIDBM-MHZLTWQESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542117; PubChem:CID164515067
|
Local ready
Direct docking supported
|
|
E3L024136
BDB024136
|
US11274090, Example 22 Isomer 1
Cn1cc(-c2ccc(NC(=O)[C@@H](NCCc3ccc(C#N)cc3)c3ccccc3)nc2)cn1
|
C26H24N6O 436.519000 |
ZJGMOHOOSGHFMJ-VWLOTQADSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542118; PubChem:CID139416943
|
Local ready
Direct docking supported
|
|
E3L024137
BDB024137
|
US11274090, Example 23 Isomer 1
Cn1cc(-c2ncc(NC(=O)[C@@H](NCCc3ccc(C#N)cc3)c3ccccc3)cn2)cn1
|
C25H23N7O 437.507000 |
SHAJSBACPAWTQT-QHCPKHFHSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542120; PubChem:CID139426279
|
Local ready
Direct docking supported
|
|
E3L024138
BDB024138
|
US11274090, Example 24 Isomer 1
COc1cc(-c2cnn(C)c2)ccc1NC(=O)[C@@H](NCCc1ccc(C#N)cc1)c1ccccc1
|
C28H27N5O2 465.557000 |
MXRSOIOJIZKLCC-MHZLTWQESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542122; PubChem:CID139426282
|
Local ready
Direct docking supported
|
|
E3L024139
BDB024139
|
US11274090, Example 24 Isomer 2
COc1cc(-c2cnn(C)c2)ccc1NC(=O)[C@H](NCCc1ccc(C#N)cc1)c1ccccc1
|
C28H27N5O2 465.557000 |
MXRSOIOJIZKLCC-HHHXNRCGSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542123; PubChem:CID156273070
|
Local ready
Direct docking supported
|
|
E3L024140
BDB024140
|
US11274090, Example 25 Isomer 1
COc1cc(NC(=O)[C@@H](NCCc2ccc(C#N)cc2)c2ccccc2)ccc1-c1cnn(C)c1
|
C28H27N5O2 465.557000 |
DNETUIUEXGZOQD-MHZLTWQESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542124; PubChem:CID139426289
|
Local ready
Direct docking supported
|