| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L024281
BDB024281
|
US11274090, Example 86-racemic
Cn1cc(-c2ccc(NC(=O)[C@@H](NCCc3c(F)cc(C#N)cc3F)c3ccccc3)nc2)cn1
|
C26H22F2N6O 472.499000 |
HCNAPHHNRFEXBK-VWLOTQADSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542268; PubChem:CID139426220
|
Local ready
Direct docking supported
|
|
E3L024282
BDB024282
|
US11274090, Example 87 Isomer 1
COc1ccccc1[C@H](NCCc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2cnn(C)c2)cn1
|
C27H26N6O2 466.545000 |
LYNXEKMQGITZAZ-SANMLTNESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542269; PubChem:CID139426221
|
Local ready
Direct docking supported
|
|
E3L024283
BDB024283
|
US11274090, Example 87 Isomer 2
COc1ccccc1[C@@H](NCCc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2cnn(C)c2)cn1
|
C27H26N6O2 466.545000 |
LYNXEKMQGITZAZ-AREMUKBSSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542270; PubChem:CID156293338
|
Local ready
Direct docking supported
|
|
E3L024284
BDB024284
|
US11274090, Example 88 Isomer 1
Cn1cc(-c2ccc(NC(=O)[C@@H](NCCc3ccc(C#N)cc3)c3ccccc3Cl)nc2)cn1
|
C26H23ClN6O 470.964000 |
PQKVQKOLSYHBFV-VWLOTQADSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542271; PubChem:CID139426217
|
Local ready
Direct docking supported
|
|
E3L024285
BDB024285
|
US11274090, Example 88 Isomer 2
Cn1cc(-c2ccc(NC(=O)[C@H](NCCc3ccc(C#N)cc3)c3ccccc3Cl)nc2)cn1
|
C26H23ClN6O 470.964000 |
PQKVQKOLSYHBFV-RUZDIDTESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542272; PubChem:CID156293339
|
Local ready
Direct docking supported
|
|
E3L024286
BDB024286
|
US11274090, Example 89 Isomer 1
Cn1cc(-c2ccc(NC(=O)[C@@H](NCCc3ccc(C#N)cc3)C3CCCCC3)nc2)cn1
|
C26H30N6O 442.567000 |
LQOGNWKWXFRXAX-VWLOTQADSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542273; PubChem:CID139425957
|
Local ready
Direct docking supported
|
|
E3L024287
BDB024287
|
US11274090, Example 89 Isomer 2
Cn1cc(-c2ccc(NC(=O)[C@H](NCCc3ccc(C#N)cc3)C3CCCCC3)nc2)cn1
|
C26H30N6O 442.567000 |
LQOGNWKWXFRXAX-RUZDIDTESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542274; PubChem:CID156293374
|
Local ready
Direct docking supported
|
|
E3L024288
BDB024288
|
US11274090, Example 90 Isomer 1
C[C@@H](CN[C@@H](C(=O)Nc1ccc(-c2cnn(C)c2)cn1)c1ccccc1)c1ccc(C#N)cc1F
|
C27H25FN6O 468.536000 |
UMMBLGJIFUCEDT-HFJWLAOPSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542275; PubChem:CID156293373
|
Local ready
Direct docking supported
|
|
E3L024289
BDB024289
|
US11274090, Example 90 Isomer 2
C[C@H](CN[C@@H](C(=O)Nc1ccc(-c2cnn(C)c2)cn1)c1ccccc1)c1ccc(C#N)cc1F
|
C27H25FN6O 468.536000 |
UMMBLGJIFUCEDT-WXTAPIANSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542276; PubChem:CID156293375
|
Local ready
Direct docking supported
|
|
E3L024290
BDB024290
|
US11274090, Example 90 Isomer 3
C[C@@H](CN[C@H](C(=O)Nc1ccc(-c2cnn(C)c2)cn1)c1ccccc1)c1ccc(C#N)cc1F
|
C27H25FN6O 468.536000 |
UMMBLGJIFUCEDT-QYBDOPJKSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542277; PubChem:CID139425970
|
Local ready
Direct docking supported
|
|
E3L024291
BDB024291
|
US11274090, Example 90 Isomer 4
C[C@H](CN[C@H](C(=O)Nc1ccc(-c2cnn(C)c2)cn1)c1ccccc1)c1ccc(C#N)cc1F
|
C27H25FN6O 468.536000 |
UMMBLGJIFUCEDT-DWXRJYCRSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542278; PubChem:CID139425972
|
Local ready
Direct docking supported
|
|
E3L024292
BDB024292
|
US11274090, Example 91 Isomer 1
C[C@@H](CN[C@@H](C(=O)Nc1ccc(-c2cnn(C)c2)cn1)c1ccccc1)c1ccc(C#N)c(F)c1
|
C27H25FN6O 468.536000 |
RMRQRQHCCOEUNN-HFJWLAOPSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542279; PubChem:CID156293448
|
Local ready
Direct docking supported
|
|
E3L024293
BDB024293
|
US11274090, Example 91 Isomer 2
C[C@H](CN[C@@H](C(=O)Nc1ccc(-c2cnn(C)c2)cn1)c1ccccc1)c1ccc(C#N)c(F)c1
|
C27H25FN6O 468.536000 |
RMRQRQHCCOEUNN-WXTAPIANSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542280; PubChem:CID156293401
|
Local ready
Direct docking supported
|
|
E3L024294
BDB024294
|
US11274090, Example 91 Isomer 3
C[C@@H](CN[C@H](C(=O)Nc1ccc(-c2cnn(C)c2)cn1)c1ccccc1)c1ccc(C#N)c(F)c1
|
C27H25FN6O 468.536000 |
RMRQRQHCCOEUNN-QYBDOPJKSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542281; PubChem:CID139425965
|
Local ready
Direct docking supported
|
|
E3L024295
BDB024295
|
US11274090, Example 91 Isomer 4
C[C@H](CN[C@H](C(=O)Nc1ccc(-c2cnn(C)c2)cn1)c1ccccc1)c1ccc(C#N)c(F)c1
|
C27H25FN6O 468.536000 |
RMRQRQHCCOEUNN-DWXRJYCRSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542282; PubChem:CID139425959
|
Local ready
Direct docking supported
|
|
E3L024296
BDB024296
|
US11274090, Example 92 Isomer 1
CO[C@@H]1CCN(c2ccc(NC(=O)[C@H](NC[C@H](C)c3ccc(C#N)cc3)c3ccccc3)nc2)C1
|
C28H31N5O2 469.589000 |
NQEVEGVDFYTBCQ-FBQMUFCQSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542283; PubChem:CID156293449
|
Local ready
Direct docking supported
|
|
E3L024297
BDB024297
|
US11274090, Example 92 Isomer 2
CO[C@@H]1CCN(c2ccc(NC(=O)[C@H](NC[C@@H](C)c3ccc(C#N)cc3)c3ccccc3)nc2)C1
|
C28H31N5O2 469.589000 |
NQEVEGVDFYTBCQ-CMTYHFORSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542284; PubChem:CID156293451
|
Local ready
Direct docking supported
|
|
E3L024298
BDB024298
|
US11274090, Example 92 Isomer 3
CO[C@@H]1CCN(c2ccc(NC(=O)[C@@H](NC[C@H](C)c3ccc(C#N)cc3)c3ccccc3)nc2)C1
|
C28H31N5O2 469.589000 |
NQEVEGVDFYTBCQ-FESMNKHTSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542285; PubChem:CID139425966
|
Local ready
Direct docking supported
|
|
E3L024299
BDB024299
|
US11274090, Example 92 Isomer 4
CO[C@@H]1CCN(c2ccc(NC(=O)[C@@H](NC[C@@H](C)c3ccc(C#N)cc3)c3ccccc3)nc2)C1
|
C28H31N5O2 469.589000 |
NQEVEGVDFYTBCQ-WMBPSLEXSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542286; PubChem:CID139425960
|
Local ready
Direct docking supported
|
|
E3L024300
BDB024300
|
US11274090, Example 93 Isomer 1
CO[C@H]1CCN(c2ccc(NC(=O)[C@H](NC[C@H](C)c3ccc(C#N)cc3)c3ccccc3)nc2)C1
|
C28H31N5O2 469.589000 |
NQEVEGVDFYTBCQ-QOAWAWRESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542287; PubChem:CID156293907
|
Local ready
Direct docking supported
|