| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031121
BDB031121
|
BDBM621153
CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1)C(F)(F)F
|
C19H19F4N5O 409.387000 |
PFTAJGZYJHDZOW-OHASFMIRSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621153; PubChem:CID166961626
|
Local ready
Direct docking supported
|
|
E3L031122
BDB031122
|
BDBM621155
CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNCC45CC5)n3)n2c1)C(F)(F)F
|
C21H22F3N5O 417.435000 |
RZHTUCWWEKMCNM-UCFFOFKASA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621155; PubChem:CID166961684
|
Local ready
Direct docking supported
|
|
E3L031123
BDB031123
|
BDBM621157
F[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3cc(OC(F)(F)F)ccn23)n1
|
C17H15F4N5O 381.333000 |
AZIKDQBYCZVPSU-AAEUAGOBSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621157; PubChem:CID163441994
|
Local ready
Direct docking supported
|
|
E3L031124
BDB031124
|
BDBM621158
F[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3cc(-c4ncc[nH]4)ccn23)n1
|
C19H18FN7 363.400000 |
PDXCPPIXNVTKCI-ZFWWWQNUSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621158; PubChem:CID163862662
|
Local ready
Direct docking supported
|
|
E3L031125
BDB031125
|
BDBM621159
F[C@H]1CCNC[C@@H]1Nc1cccc(-c2cnc3cc(-c4ncc[nH]4)ccn23)n1
|
C20H20FN7 377.427000 |
GJMNFLBPIHSIRV-HOCLYGCPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621159; PubChem:CID166961770
|
Local ready
Direct docking supported
|
|
E3L031126
BDB031126
|
BDBM621160
FC(F)COc1ccn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1
|
C18H18F3N5O 377.370000 |
PFFGWEAFYGGDLE-JSGCOSHPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621160; PubChem:CID166961542
|
Local ready
Direct docking supported
|
|
E3L031127
BDB031127
|
BDBM621161
CC(C)Oc1ccn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1
|
C19H22FN5O 355.417000 |
FUFJXODRNRQIRI-HOCLYGCPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621161; PubChem:CID166961710
|
Local ready
Direct docking supported
|
|
E3L031128
BDB031128
|
BDBM621162
CC(C)Oc1cc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2cc1F
|
C20H23F2N5O 387.434000 |
JOBAEWAZUAPIKW-BBRMVZONSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621162; PubChem:CID166961552
|
Local ready
Direct docking supported
|
|
E3L031129
BDB031129
|
Exemplary Synthetic Procedure #34
CC1(c2ccn3c(-c4cccc(N[C@H]5CNC[C@@H]5F)n4)cnc3c2)CC1
|
C20H22FN5 351.429000 |
LVDGPLKQEUXHAV-HOCLYGCPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621163; PubChem:CID166961543
|
Local ready
Direct docking supported
|
|
E3L031130
BDB031130
|
Exemplary Synthetic Procedure #37
F[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3cc(Cl)ccn23)n1
|
C16H15ClFN5 331.782000 |
HXUCFPZSRWJRRN-AAEUAGOBSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621164; PubChem:CID166961766
|
Local ready
Direct docking supported
|
|
E3L031131
BDB031131
|
Exemplary Synthetic Procedure #38
F[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3cc(C4CC4)ccn23)n1
|
C19H20FN5 337.402000 |
OTAZAWFIQUEVLG-HOCLYGCPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621165; PubChem:CID166961776
|
Local ready
Direct docking supported
|
|
E3L031132
BDB031132
|
US20230312542, Example 1
COc1cc(C(C(=O)N2C[C@H](O)C[C@H]2c2nc(C(=O)N3CCC(Oc4ccccc4)CC3)c[nH]2)C(C)C)on1
|
C28H35N5O6 537.617000 |
TZBPBIMNKGQXKH-IIAXJLLOSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM621974; PubChem:CID156873536
|
Local ready
Direct docking supported
|
|
E3L031133
BDB031133
|
US20230312542, Example 6
CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1c1ncc(-c2cccc(-c3scnc3C)c2)[nH]1)C(C)(C)C
|
C25H31N5O3S 481.622000 |
CZGXUBOQUPSMHG-KAGYGMCKSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM621975; PubChem:CID156873399
|
Local ready
Direct docking supported
|
|
E3L031134
BDB031134
|
US20230312542, Example 14
CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1c1nc(C(=O)N(C)Cc2ccccc2Cl)c[nH]1)C(C)(C)C
|
C24H32ClN5O4 490.004000 |
OPHTZZOCAPNJIT-LSTHTHJFSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM621976; PubChem:CID156873362
|
Local ready
Direct docking supported
|
|
E3L031135
BDB031135
|
US20230312542, Example 15
CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1c1nc(C(=O)N(C)Cc2cccc(Cl)c2)c[nH]1)C(C)(C)C
|
C24H32ClN5O4 490.004000 |
WKSLRYDKFDSAST-YZGWKJHDSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM621977; PubChem:CID156873398
|
Local ready
Direct docking supported
|
|
E3L031136
BDB031136
|
US20230312542, Example 16
CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1c1nc(C(=O)N(C)Cc2ccc(Cl)cc2)c[nH]1)C(C)(C)C
|
C24H32ClN5O4 490.004000 |
VLVGYBCJBCMXTF-YZGWKJHDSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM621978; PubChem:CID156873321
|
Local ready
Direct docking supported
|
|
E3L031137
BDB031137
|
US20230312542, Example 17
CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1c1nc(C(=O)N(C)Cc2ccccc2F)c[nH]1)C(C)(C)C
|
C24H32FN5O4 473.549000 |
RBRBALPLQJUNLC-LSTHTHJFSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM621979; PubChem:CID156873422
|
Local ready
Direct docking supported
|
|
E3L031138
BDB031138
|
US20230312542, Example 18
CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1c1nc(C(=O)N(C)Cc2cccc(F)c2)c[nH]1)C(C)(C)C
|
C24H32FN5O4 473.549000 |
OIEPCEAXQUKPLW-YZGWKJHDSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM621980; PubChem:CID156873406
|
Local ready
Direct docking supported
|
|
E3L031139
BDB031139
|
US20230312542, Example 19
CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1c1nc(C(=O)N(C)Cc2ccc(F)cc2)c[nH]1)C(C)(C)C
|
C24H32FN5O4 473.549000 |
HMGFLPLHUGCOMH-YZGWKJHDSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM621981; PubChem:CID156873454
|
Local ready
Direct docking supported
|
|
E3L031140
BDB031140
|
US20230312542, Example 20
CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1c1nc(C(=O)N(C)Cc2ccccc2C(F)(F)F)c[nH]1)C(C)(C)C
|
C25H32F3N5O4 523.556000 |
IPRATMSLXQTJCC-LSTHTHJFSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM621982; PubChem:CID156873343
|
Local ready
Direct docking supported
|