| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L024101
BDB024101
|
US11274090, Example 6 Isomer 4
Cc1ncc(-c2ccc(NC(=O)[C@H](NC[C@H](C)c3ccc(C#N)cc3)c3ccccc3)nc2)cn1
|
C28H26N6O 462.557000 |
ILTQKSPKLCHRGS-UZTOHYMASA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542076; PubChem:CID156293365
|
Local ready
Direct docking supported
|
|
E3L024102
BDB024102
|
BDBM542077
N#Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-c3cn[nH]c3)cn2)c2ccccc2)cc1
|
C25H22N6O 422.492000 |
BFPGZRXUKIEUAC-DEOSSOPVSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542077; PubChem:CID175808736
|
Local ready
Direct docking supported
|
|
E3L024103
BDB024103
|
BDBM542078
N#Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(-c3cn[nH]c3)cn2)c2ccccc2)cc1
|
C25H22N6O 422.492000 |
BFPGZRXUKIEUAC-XMMPIXPASA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542078; PubChem:CID156273056
|
Local ready
Direct docking supported
|
|
E3L024104
BDB024104
|
US11274090, Example 8 Isomer 1
C[C@H](CN[C@H](C(=O)Nc1ccc(-c2cnn(C(C)(C)CO)c2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C30H32N6O2 508.626000 |
FEFZGSIKBMALQF-PIKZIKFNSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542079; PubChem:CID164515057
|
Local ready
Direct docking supported
|
|
E3L024105
BDB024105
|
US11274090, Example 8 Isomer 2
C[C@@H](CN[C@H](C(=O)Nc1ccc(-c2cnn(C(C)(C)CO)c2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C30H32N6O2 508.626000 |
FEFZGSIKBMALQF-KMRXNPHXSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542080; PubChem:CID164515058
|
Local ready
Direct docking supported
|
|
E3L024106
BDB024106
|
US11274090, Example 8 Isomer 3
C[C@H](CN[C@@H](C(=O)Nc1ccc(-c2cnn(C(C)(C)CO)c2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C30H32N6O2 508.626000 |
FEFZGSIKBMALQF-LYZGTLIUSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542086; PubChem:CID164515059
|
Local ready
Direct docking supported
|
|
E3L024107
BDB024107
|
US11274090, Example 8 Isomer 4
C[C@@H](CN[C@@H](C(=O)Nc1ccc(-c2cnn(C(C)(C)CO)c2)cn1)c1ccccc1)c1ccc(C#N)cc1
|
C30H32N6O2 508.626000 |
FEFZGSIKBMALQF-RBTNQOKQSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542087; PubChem:CID164515060
|
Local ready
Direct docking supported
|
|
E3L024108
BDB024108
|
US11274090, Example 9 Isomer 1
Cc1cnc(-c2ccc(NC(=O)[C@@H](NCCc3ccc(Cl)cc3)c3ccccc3)cc2)[nH]1
|
C26H25ClN4O 444.966000 |
SRRMVVHPNQXRNB-DEOSSOPVSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542088; PubChem:CID139426023
|
Local ready
Direct docking supported
|
|
E3L024109
BDB024109
|
US11274090, Example 9 Isomer 2
Cc1cnc(-c2ccc(NC(=O)[C@H](NCCc3ccc(Cl)cc3)c3ccccc3)cc2)[nH]1
|
C26H25ClN4O 444.966000 |
SRRMVVHPNQXRNB-XMMPIXPASA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542089; PubChem:CID155597499
|
Local ready
Direct docking supported
|
|
E3L024110
BDB024110
|
US11274090, Example 10 Isomer 1
O=C(Nc1ccc(-c2cccnn2)cc1)[C@@H](NCCc1ccc(Cl)cc1)c1ccccc1
|
C26H23ClN4O 442.950000 |
IYCOVUGLYZEKQQ-VWLOTQADSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542090; PubChem:CID139426242
|
Local ready
Direct docking supported
|
|
E3L024111
BDB024111
|
US11274090, Example 10 Isomer 2
O=C(Nc1ccc(-c2cccnn2)cc1)[C@H](NCCc1ccc(Cl)cc1)c1ccccc1
|
C26H23ClN4O 442.950000 |
IYCOVUGLYZEKQQ-RUZDIDTESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542091; PubChem:CID156273096
|
Local ready
Direct docking supported
|
|
E3L024112
BDB024112
|
US11274090, Example 11 Isomer 1
Cc1cnc(-c2ccc(NC(=O)[C@@H](NCCc3ccc(C#N)cc3)c3ccccc3)cc2)[nH]1
|
C27H25N5O 435.531000 |
IIGXLQOPJZEFNR-VWLOTQADSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542092; PubChem:CID139426240
|
Local ready
Direct docking supported
|
|
E3L024113
BDB024113
|
US11274090, Example 11 Isomer 2
Cc1cnc(-c2ccc(NC(=O)[C@H](NCCc3ccc(C#N)cc3)c3ccccc3)cc2)[nH]1
|
C27H25N5O 435.531000 |
IIGXLQOPJZEFNR-RUZDIDTESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542093; PubChem:CID156273093
|
Local ready
Direct docking supported
|
|
E3L024114
BDB024114
|
US11274090, Example 12 Isomer 1
N#Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-c3cccnn3)cc2)c2ccccc2)cc1
|
C27H23N5O 433.515000 |
IBFBLCYRODVCGY-SANMLTNESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542094; PubChem:CID139426278
|
Local ready
Direct docking supported
|
|
E3L024115
BDB024115
|
US11274090, Example 12 Isomer 2
N#Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(-c3cccnn3)cc2)c2ccccc2)cc1
|
C27H23N5O 433.515000 |
IBFBLCYRODVCGY-AREMUKBSSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542095; PubChem:CID156273061
|
Local ready
Direct docking supported
|
|
E3L024116
BDB024116
|
US11274090, Example 13 Isomer 1
Cn1cnc(-c2ccc(NC(=O)[C@@H](NCCc3ccc(C#N)cc3)c3ccccc3)nc2)c1
|
C26H24N6O 436.519000 |
NDBBULBBIUPMDK-VWLOTQADSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542096; PubChem:CID139426397
|
Local ready
Direct docking supported
|
|
E3L024117
BDB024117
|
US11274090, Example 13 Isomer 2
Cn1cnc(-c2ccc(NC(=O)[C@H](NCCc3ccc(C#N)cc3)c3ccccc3)nc2)c1
|
C26H24N6O 436.519000 |
NDBBULBBIUPMDK-RUZDIDTESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542097; PubChem:CID156273022
|
Local ready
Direct docking supported
|
|
E3L024118
BDB024118
|
US11274090, Example 14 Isomer 1
Cn1ccc(-c2ccc(NC(=O)[C@@H](NCCc3ccc(C#N)cc3)c3ccccc3)nc2)n1
|
C26H24N6O 436.519000 |
YBDAQKXIWAOBOO-VWLOTQADSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542098; PubChem:CID164515061
|
Local ready
Direct docking supported
|
|
E3L024119
BDB024119
|
US11274090, Example 14 Isomer 2
Cn1ccc(-c2ccc(NC(=O)[C@H](NCCc3ccc(C#N)cc3)c3ccccc3)nc2)n1
|
C26H24N6O 436.519000 |
YBDAQKXIWAOBOO-RUZDIDTESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542099; PubChem:CID156273066
|
Local ready
Direct docking supported
|
|
E3L024120
BDB024120
|
US11274090, Example 15 Isomer 1
Cc1ccc(-c2ccc(NC(=O)[C@@H](NC[C@@H](C)c3ccc(C#N)cc3)c3ccccc3)nc2)nn1
|
C28H26N6O 462.557000 |
WEFNYOHMOPVIBQ-WINIVTDRSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542100; PubChem:CID164515062
|
Local ready
Direct docking supported
|