| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031101
BDB031101
|
BDBM621131
FC(F)c1ccc2ncc(-c3cccc(NC4CC5(CCNC5)C4)n3)n2c1
|
C20H21F2N5 369.419000 |
BBKKFCZZAZLULJ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621131; PubChem:CID163444570
|
Local ready
Direct docking supported
|
|
E3L031102
BDB031102
|
BDBM621132
FC(F)c1ccc2ncc(-c3cccc(NC4CC5(CNC5)C4)n3)n2c1
|
C19H19F2N5 355.392000 |
WGQUSQTWZRXHGK-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621132; PubChem:CID169074523
|
Local ready
Direct docking supported
|
|
E3L031103
BDB031103
|
BDBM621133
FC(F)c1ccc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2c1
|
C17H15F4N5 365.334000 |
DUOPMZXNVCHSKJ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621133; PubChem:CID166961551
|
Local ready
Direct docking supported
|
|
E3L031104
BDB031104
|
BDBM621134
CC(C)Oc1ccn2c(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)cnc2c1
|
C20H24FN5O 369.444000 |
RDBXDKAXTSZQAP-RDJZCZTQSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621134; PubChem:CID166961584
|
Local ready
Direct docking supported
|
|
E3L031105
BDB031105
|
BDBM621135
CC(C)Oc1ccn2c(-c3cc(F)cc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1
|
C19H21F2N5O 373.407000 |
YUANXHKOYHEHOW-HOCLYGCPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621135; PubChem:CID164138361
|
Local ready
Direct docking supported
|
|
E3L031106
BDB031106
|
BDBM621136
CC(C)Oc1ccn2c(-c3nc(N[C@H]4CNC[C@@H]4F)c(F)cc3F)cnc2c1
|
C19H20F3N5O 391.397000 |
OCDYJTRAVKONSS-GJZGRUSLSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621136; PubChem:CID163829148
|
Local ready
Direct docking supported
|
|
E3L031107
BDB031107
|
BDBM621137
CC(C)Oc1ccn2c(-c3nc(N[C@H]4CNCC[C@@H]4F)c(F)cc3F)cnc2c1
|
C20H22F3N5O 405.424000 |
HCHLTTBJHNWMPS-BBRMVZONSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621137; PubChem:CID166961736
|
Local ready
Direct docking supported
|
|
E3L031108
BDB031108
|
BDBM621138
CC(C)Oc1ccn2c(-c3ccnc(N[C@H]4CNCC[C@@H]4F)n3)cnc2c1
|
C19H23FN6O 370.432000 |
FRKBJIBHJMIOHI-HOCLYGCPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621138; PubChem:CID167450061
|
Local ready
Direct docking supported
|
|
E3L031109
BDB031109
|
BDBM621139
CC(C)Oc1ccn2c(-c3cncc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1
|
C18H21FN6O 356.405000 |
HHVUHFYJIYORJI-KBPBESRZSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621139; PubChem:CID166961723
|
Local ready
Direct docking supported
|
|
E3L031110
BDB031110
|
BDBM621140
CC(O)(c1cn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2cc1CO)C(F)(F)F
|
C20H21F4N5O2 439.413000 |
XBMMPGPTZWUPAP-MEFJIFBHSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621140; PubChem:CID169074465
|
Local ready
Direct docking supported
|
|
E3L031111
BDB031111
|
BDBM621141
CC(O)(c1cn2c(-c3cccc(N[C@@H]4CNC[C@H]4F)n3)cnc2cc1CO)C(F)(F)F
|
C20H21F4N5O2 439.413000 |
XBMMPGPTZWUPAP-PIAVTGDYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621141; PubChem:CID169429063
|
Local ready
Direct docking supported
|
|
E3L031112
BDB031112
|
BDBM621142
CC(O)(c1cn2c(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)cnc2cc1CO)C(F)(F)F
|
C21H23F4N5O2 453.440000 |
KQDKXYWFBHTGIX-UIYGFSLZSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621142; PubChem:CID169074537
|
Local ready
Direct docking supported
|
|
E3L031113
BDB031113
|
BDBM621144
CC(C)Oc1cc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2cc1Cl
|
C20H23ClFN5O 403.889000 |
GPQARSZTOBDAFR-HOCLYGCPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621144; PubChem:CID166961598
|
Local ready
Direct docking supported
|
|
E3L031114
BDB031114
|
Exemplary Synthetic Procedure #22
NC(=O)c1ccn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1
|
C17H17FN6O 340.362000 |
UBKAKYFRDGQVJG-AAEUAGOBSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621145; PubChem:CID163991946
|
Local ready
Direct docking supported
|
|
E3L031115
BDB031115
|
BDBM621146
CNC(=O)c1ccn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1
|
C18H19FN6O 354.389000 |
KSJNXKBKMYLRSO-JSGCOSHPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621146; PubChem:CID163722002
|
Local ready
Direct docking supported
|
|
E3L031116
BDB031116
|
BDBM621147
F[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3cc(OC4CC4)ccn23)n1
|
C19H20FN5O 353.401000 |
HXQKDULUOFXHDI-HOCLYGCPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621147; PubChem:CID163632878
|
Local ready
Direct docking supported
|
|
E3L031117
BDB031117
|
BDBM621148
FC(F)Oc1ccn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1
|
C17H16F3N5O 363.343000 |
VBVMZSHPPUKQDJ-AAEUAGOBSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621148; PubChem:CID164023848
|
Local ready
Direct docking supported
|
|
E3L031118
BDB031118
|
BDBM621149
COc1cc2ncc(-c3nc(N[C@H]4CNC[C@@H]4F)c(F)cc3F)n2cc1C(C)(C)O
|
C20H22F3N5O2 421.423000 |
KZZBPBNSHNVSIW-KBPBESRZSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621149; PubChem:CID166961651
|
Local ready
Direct docking supported
|
|
E3L031119
BDB031119
|
BDBM621150
CC(C)(O)c1cn2c(-c3nc(N[C@H]4CNCC[C@@H]4F)c(F)cc3F)cnc2cc1CO
|
C21H24F3N5O2 435.450000 |
SLXRUGRDAKLMGS-BBRMVZONSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621150; PubChem:CID169074505
|
Local ready
Direct docking supported
|
|
E3L031120
BDB031120
|
BDBM621151
CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2c1)C(F)(F)F
|
C20H21F4N5O 423.414000 |
UXNHXSBDEPPEKO-MEFJIFBHSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621151; PubChem:CID166961603
|
Local ready
Direct docking supported
|