| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L024081
BDB024081
|
US11267808, Example 14
CN1CCN(c2ccc(NC(=O)c3cc(C#N)ccc3Cl)cn2)CC1
|
C18H18ClN5O 355.829000 |
XOLLMFDYLSTUHP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM541411; PubChem:CID138683236
|
Local ready
Direct docking supported
|
|
E3L024082
BDB024082
|
US11267808, Example 15
CN1CCN(c2cc(NC(=O)c3cc(C#N)ccc3Cl)ccn2)CC1
|
C18H18ClN5O 355.829000 |
XFLHDCGUFDRWRQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM541412; PubChem:CID138683248
|
Local ready
Direct docking supported
|
|
E3L024083
BDB024083
|
2-chloro-5-cyano-N-(2-morpholinopyridin-4-yl)benzamide
N#Cc1ccc(Cl)c(C(=O)Nc2ccnc(N3CCOCC3)c2)c1
|
C17H15ClN4O2 342.786000 |
ZZPJJSJGLKBOKI-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM541413; PubChem:CID138683231
|
Local ready
Direct docking supported
|
|
E3L024084
BDB024084
|
2-chloro-5-cyano-N-(6-morpholinopyridin-3-yl)benzamide
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(N3CCOCC3)nc2)c1
|
C17H15ClN4O2 342.786000 |
MMHNJLDBSTXQLA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM541414; PubChem:CID138683232
|
Local ready
Direct docking supported
|
|
E3L024085
BDB024085
|
US11274090, Example 1 Isomer 1
Cn1cc(-c2ccc(NC(=O)[C@@H](NCCc3ccc(C#N)cc3)c3ccccc3)cc2)cn1
|
C27H25N5O 435.531000 |
PPUQKDMNCLOBAH-SANMLTNESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM541995; PubChem:CID139426227
|
Local ready
Direct docking supported
|
|
E3L024086
BDB024086
|
US11274090, Example 2 Isomer 1
C[C@@H](CN[C@@H](C(=O)Nc1ccc(-c2cnn(C)c2)cc1)c1ccccc1)c1ccc(Cl)cc1
|
C27H27ClN4O 458.993000 |
NYMXCLKCVUYUFP-AFMDSPMNSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542057; PubChem:CID156293328
|
Local ready
Direct docking supported
|
|
E3L024087
BDB024087
|
US11274090, Example 2 Isomer 2
C[C@H](CN[C@@H](C(=O)Nc1ccc(-c2cnn(C)c2)cc1)c1ccccc1)c1ccc(Cl)cc1
|
C27H27ClN4O 458.993000 |
NYMXCLKCVUYUFP-NIYFSFCBSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542058; PubChem:CID156293329
|
Local ready
Direct docking supported
|
|
E3L024088
BDB024088
|
US11274090, Example 2 Isomer 3
C[C@@H](CN[C@H](C(=O)Nc1ccc(-c2cnn(C)c2)cc1)c1ccccc1)c1ccc(Cl)cc1
|
C27H27ClN4O 458.993000 |
NYMXCLKCVUYUFP-SIBVEZHUSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542059; PubChem:CID139426232
|
Local ready
Direct docking supported
|
|
E3L024089
BDB024089
|
US11274090, Example 2 Isomer 4
C[C@H](CN[C@H](C(=O)Nc1ccc(-c2cnn(C)c2)cc1)c1ccccc1)c1ccc(Cl)cc1
|
C27H27ClN4O 458.993000 |
NYMXCLKCVUYUFP-BCHFMIIMSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542060; PubChem:CID139426230
|
Local ready
Direct docking supported
|
|
E3L024090
BDB024090
|
US11274090, Example 3 Isomer 1
C[C@@H](Cc1ccc(Cl)cc1)N[C@@H](C(=O)Nc1ccc(-c2cnn(C)c2)cc1)c1ccccc1
|
C27H27ClN4O 458.993000 |
QQVYJEMKINPYTO-AFMDSPMNSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542061; PubChem:CID156293330
|
Local ready
Direct docking supported
|
|
E3L024091
BDB024091
|
US11274090, Example 3 Isomer 2
C[C@H](Cc1ccc(Cl)cc1)N[C@@H](C(=O)Nc1ccc(-c2cnn(C)c2)cc1)c1ccccc1
|
C27H27ClN4O 458.993000 |
QQVYJEMKINPYTO-NIYFSFCBSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542062; PubChem:CID156293337
|
Local ready
Direct docking supported
|
|
E3L024092
BDB024092
|
US11274090, Example 3 Isomer 3
C[C@@H](Cc1ccc(Cl)cc1)N[C@H](C(=O)Nc1ccc(-c2cnn(C)c2)cc1)c1ccccc1
|
C27H27ClN4O 458.993000 |
QQVYJEMKINPYTO-SIBVEZHUSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542063; PubChem:CID139426231
|
Local ready
Direct docking supported
|
|
E3L024093
BDB024093
|
US11274090, Example 3 Isomer 4
C[C@H](Cc1ccc(Cl)cc1)N[C@H](C(=O)Nc1ccc(-c2cnn(C)c2)cc1)c1ccccc1
|
C27H27ClN4O 458.993000 |
QQVYJEMKINPYTO-BCHFMIIMSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542064; PubChem:CID139426233
|
Local ready
Direct docking supported
|
|
E3L024094
BDB024094
|
US11274090, Example 4 Isomer 1
Cn1cc(-c2ccc(NC(=O)[C@@H](NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3)cc2)cn1
|
C26H27N5O3S 489.601000 |
DXLYXPVOXQYEPG-VWLOTQADSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542065; PubChem:CID139426241
|
Local ready
Direct docking supported
|
|
E3L024095
BDB024095
|
US11274090, Example 4 Isomer 2
Cn1cc(-c2ccc(NC(=O)[C@H](NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3)cc2)cn1
|
C26H27N5O3S 489.601000 |
DXLYXPVOXQYEPG-RUZDIDTESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542070; PubChem:CID156273077
|
Local ready
Direct docking supported
|
|
E3L024096
BDB024096
|
US11274090, Example 5 Isomer 1
Cn1cc(-c2ccc(NC(=O)[C@@H](NCCc3ccc(Cl)cc3)c3ccccc3)cc2)cn1
|
C26H25ClN4O 444.966000 |
JHCUXHVMURWXCC-VWLOTQADSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542071; PubChem:CID139426238
|
Local ready
Direct docking supported
|
|
E3L024097
BDB024097
|
US11274090, Example 5 Isomer 2
Cn1cc(-c2ccc(NC(=O)[C@H](NCCc3ccc(Cl)cc3)c3ccccc3)cc2)cn1
|
C26H25ClN4O 444.966000 |
JHCUXHVMURWXCC-RUZDIDTESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542072; PubChem:CID155597526
|
Local ready
Direct docking supported
|
|
E3L024098
BDB024098
|
US11274090, Example 6 Isomer 1
Cc1ncc(-c2ccc(NC(=O)[C@@H](NC[C@@H](C)c3ccc(C#N)cc3)c3ccccc3)nc2)cn1
|
C28H26N6O 462.557000 |
ILTQKSPKLCHRGS-WINIVTDRSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542073; PubChem:CID139425938
|
Local ready
Direct docking supported
|
|
E3L024099
BDB024099
|
US11274090, Example 6 Isomer 2
Cc1ncc(-c2ccc(NC(=O)[C@@H](NC[C@H](C)c3ccc(C#N)cc3)c3ccccc3)nc2)cn1
|
C28H26N6O 462.557000 |
ILTQKSPKLCHRGS-PPHZAIPVSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542074; PubChem:CID139425940
|
Local ready
Direct docking supported
|
|
E3L024100
BDB024100
|
US11274090, Example 6 Isomer 3
Cc1ncc(-c2ccc(NC(=O)[C@H](NC[C@@H](C)c3ccc(C#N)cc3)c3ccccc3)nc2)cn1
|
C28H26N6O 462.557000 |
ILTQKSPKLCHRGS-XHCCPWGMSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM542075; PubChem:CID156293366
|
Local ready
Direct docking supported
|