| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L016121
BDB016121
|
BDBM348077
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N[C@H]4CCC[C@H](F)[C@H]4O)n3)c2)cn1
|
C24H26FN7O 447.518000 |
ODTWEGAIGUDNQN-FDFHNCONSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348077; PubChem:CID121347757
|
Local ready
Direct docking supported
|
|
E3L016122
BDB016122
|
BDBM348078
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N[C@@H]4CCC[C@@H](F)[C@@H]4O)n3)c2)cn1
|
C24H26FN7O 447.518000 |
ODTWEGAIGUDNQN-VSKRKVRLSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348078; PubChem:CID121347805
|
Local ready
Direct docking supported
|
|
E3L016123
BDB016123
|
BDBM348079
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N[C@@H]4CCCC(F)(F)[C@H]4O)n3)c2)cn1
|
C24H25F2N7O 465.508000 |
YQVAXHSIHKEXIY-RTWAWAEBSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348079; PubChem:CID121347882
|
Local ready
Direct docking supported
|
|
E3L016124
BDB016124
|
BDBM348080
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N[C@H]4CCCC[C@@H](O)[C@H]4O)n3)c2)cn1
|
C25H29N7O2 459.554000 |
JGAOGPNHVTXBLP-ZRBLBEILSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348080; PubChem:CID121347794
|
Local ready
Direct docking supported
|
|
E3L016125
BDB016125
|
BDBM348081
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N[C@@H]4CCCC[C@H](O)[C@@H]4O)n3)c2)cn1
|
C25H29N7O2 459.554000 |
JGAOGPNHVTXBLP-XPWALMASSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348081; PubChem:CID121347881
|
Local ready
Direct docking supported
|
|
E3L016126
BDB016126
|
US10206931, Example 1
C[C@@H]1CC(=O)Nc2cccc(/C=C/c3cccnc3)c2N1
|
C17H17N3O 279.343000 |
OBFRLZXHHOLMDB-ABZNLYFFSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM348887; PubChem:CID121271783
|
Local ready
Direct docking supported
|
|
E3L016127
BDB016127
|
US10206931, Example 2
C[C@@H]1CC(=O)Nc2cccc(/C=C/c3ccccn3)c2N1
|
C17H17N3O 279.343000 |
MKCWPNKJBGVUQQ-IDVQTMNDSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM348893; PubChem:CID121278169
|
Local ready
Direct docking supported
|
|
E3L016128
BDB016128
|
US10206931, Example 3
C[C@@H]1CC(=O)Nc2cccc(/C=C/c3ccncc3)c2N1
|
C17H17N3O 279.343000 |
FSEFABQRNPVNKI-BTDICHCPSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM348901; PubChem:CID121278187
|
Local ready
Direct docking supported
|
|
E3L016129
BDB016129
|
BDBM348904
CN/C=C(C=N)/C=C/c1cccc2c1N[C@H](C)CC(=O)N2
|
C16H20N4O 284.363000 |
DIOXQGUGYPSIRN-NKRMJLKNSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM348904
|
Local ready
Direct docking supported
|
|
E3L016130
BDB016130
|
US10206931, Example 5
C[C@@H]1CC(=O)Nc2cccc(/C=C/c3ccccc3S(C)(=O)=O)c2N1
|
C19H20N2O3S 356.447000 |
AIDNGMIZDHIEQT-OCHBPSSRSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM348945; PubChem:CID121277999
|
Local ready
Direct docking supported
|
|
E3L016131
BDB016131
|
US10206931, Example 6
C[C@@H]1CC(=O)Nc2cccc(/C=C/c3cccc(S(C)(=O)=O)c3)c2N1
|
C19H20N2O3S 356.447000 |
OTVXNRPTPYJZFU-WTNCMQEWSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM349011; PubChem:CID121277649
|
Local ready
Direct docking supported
|
|
E3L016132
BDB016132
|
US10206931, Example 7
Cc1ccccc1/C=C/c1cccc2c1N[C@H](C)CC(=O)N2
|
C19H20N2O 292.382000 |
ZIWAMMPTLRZSAM-PLSXKVAHSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM349012; PubChem:CID121277647
|
Local ready
Direct docking supported
|
|
E3L016133
BDB016133
|
4-[(E)-2-[(4R)-4-methyl-
C[C@@H]1CC(=O)Nc2cccc(/C=C/c3ccc(C#N)cc3)c2N1
|
C19H17N3O 303.365000 |
ZERLCZDJHTXVMU-WTNCMQEWSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM349021; PubChem:CID121278131
|
Local ready
Direct docking supported
|
|
E3L016134
BDB016134
|
US10206931, Example 9
CC(=O)Nc1ccccc1/C=C/c1cccc2c1N[C@H](C)CC(=O)N2
|
C20H21N3O2 335.407000 |
WASWDBYTCCRVLL-OCHBPSSRSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM349022; PubChem:CID121278120
|
Local ready
Direct docking supported
|
|
E3L016135
BDB016135
|
3-[(E)-2-[(4R)-4-methyl-
C[C@@H]1CC(=O)Nc2cccc(/C=C/c3cccc(S(N)(=O)=O)c3)c2N1
|
C18H19N3O3S 357.435000 |
LKIUAYZJMTXTGA-IDVQTMNDSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM349023; PubChem:CID121278132
|
Local ready
Direct docking supported
|
|
E3L016136
BDB016136
|
2-[(E)-2-[(4R)-4-methyl-
C[C@@H]1CC(=O)Nc2cccc(/C=C/c3ccccc3S(N)(=O)=O)c2N1
|
C18H19N3O3S 357.435000 |
YQMIISZXXWVLTM-BZYZDCJZSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM349058; PubChem:CID121278065
|
Local ready
Direct docking supported
|
|
E3L016137
BDB016137
|
US10206931, Example 12
C[C@@H]1CC(=O)Nc2cccc(/C=C/c3cccc(-c4cnco4)c3)c2N1
|
C21H19N3O2 345.402000 |
LMMSNFQAGCYYJB-MYSGNRETSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM349081; PubChem:CID121278153
|
Local ready
Direct docking supported
|
|
E3L016138
BDB016138
|
US10206931, Example 13
C[C@@H]1CC(=O)Nc2cccc(/C=C/C3CCCCC3)c2N1
|
C18H24N2O 284.403000 |
CKRAMFKPSPRVPF-OCHBPSSRSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM349088; PubChem:CID121271786
|
Local ready
Direct docking supported
|
|
E3L016139
BDB016139
|
US10206931, Example 14
Cc1c(-c2cccc3c2N[C@H](C)CC(=O)N3)oc2ccccc12
|
C19H18N2O2 306.365000 |
LKUDTYBVBQHBFD-LLVKDONJSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM349106; PubChem:CID121278123
|
Local ready
Direct docking supported
|
|
E3L016140
BDB016140
|
US10206931, Example 15
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(ccn4C)c3)c2N1
|
C19H19N3O 305.381000 |
USHABCYPSBPYKK-GFCCVEGCSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM349115; PubChem:CID121278223
|
Local ready
Direct docking supported
|