| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031061
BDB031061
|
BDBM621091
FC(F)(F)C1(c2ccc3ncc(-c4cccc(NC5CCC6(CNC6)C5)n4)n3c2)CC1
|
C23H24F3N5 427.474000 |
NQZRHTLUKLOASK-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621091; PubChem:CID163815527
|
Local ready
Direct docking supported
|
|
E3L031062
BDB031062
|
BDBM621092
FC(F)(F)C1(c2ccc3ncc(-c4cccc(N[C@H]5CNCC56CC6)n4)n3c2)CC1
|
C22H22F3N5 413.447000 |
YMEYAMDEQBMREG-KRWDZBQOSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621092; PubChem:CID164129222
|
Local ready
Direct docking supported
|
|
E3L031063
BDB031063
|
BDBM621093
F[C@H]1CCNC[C@@H]1Nc1cccc(-c2cnc3ccc(C4(C(F)(F)F)CC4)cn23)n1
|
C21H21F4N5 419.426000 |
CZYCPCNQYXFAPQ-HOCLYGCPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621093; PubChem:CID166961623
|
Local ready
Direct docking supported
|
|
E3L031064
BDB031064
|
BDBM621094
COc1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1
|
C17H18FN5O 327.363000 |
LRMVBIGTJPEQJI-JSGCOSHPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621094; PubChem:CID163752818
|
Local ready
Direct docking supported
|
|
E3L031065
BDB031065
|
BDBM621095
COc1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4OC)n3)n2c1
|
C18H21N5O2 339.399000 |
PQMBTEFIJYDBHA-HOCLYGCPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621095; PubChem:CID163877829
|
Local ready
Direct docking supported
|
|
E3L031066
BDB031066
|
BDBM621096
COc1ccc2ncc(-c3cccc(N[C@H]4CNCC45CC5)n3)n2c1
|
C19H21N5O 335.411000 |
DIZQXPLWZKQART-INIZCTEOSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621096; PubChem:CID163518778
|
Local ready
Direct docking supported
|
|
E3L031067
BDB031067
|
BDBM621097
F[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(OC(F)(F)F)cn23)n1
|
C17H15F4N5O 381.333000 |
XMWONVHOMANOOY-AAEUAGOBSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621097; PubChem:CID164099017
|
Local ready
Direct docking supported
|
|
E3L031068
BDB031068
|
BDBM621098
FC(F)Oc1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1
|
C17H16F3N5O 363.343000 |
GZNUMHPRTTZGTC-AAEUAGOBSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621098; PubChem:CID163603259
|
Local ready
Direct docking supported
|
|
E3L031069
BDB031069
|
BDBM621099
FC(F)Oc1ccc2ncc(-c3cccc(NC4CCC5(CNC5)C4)n3)n2c1
|
C20H21F2N5O 385.418000 |
QKXDICQFNATVHN-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621099; PubChem:CID163902302
|
Local ready
Direct docking supported
|
|
E3L031070
BDB031070
|
BDBM621100
FC(F)Oc1ccc2ncc(-c3cccc(NC4CC5(CNC5)C4)n3)n2c1
|
C19H19F2N5O 371.391000 |
OXRQZPOYHSRCIB-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621100; PubChem:CID169074483
|
Local ready
Direct docking supported
|
|
E3L031071
BDB031071
|
BDBM621101
OC[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(OC(F)F)cn23)n1
|
C18H19F2N5O2 375.379000 |
CFBKGVOKLIQQJD-RISCZKNCSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621101; PubChem:CID169074495
|
Local ready
Direct docking supported
|
|
E3L031072
BDB031072
|
BDBM621102
FC(F)Oc1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)F)n3)n2c1
|
C18H17F4N5O 395.360000 |
FLXHMSFCIMZSJT-AAEUAGOBSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621102; PubChem:CID166961652
|
Local ready
Direct docking supported
|
|
E3L031073
BDB031073
|
BDBM621103
Cn1cc(-c2cn3c(-c4cccc(N[C@H]5CNC[C@@H]5F)n4)cnc3cc2CO)cn1
|
C21H22FN7O 407.453000 |
JGNYWVKGPUWQDG-WMZOPIPTSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621103; PubChem:CID169074463
|
Local ready
Direct docking supported
|
|
E3L031074
BDB031074
|
BDBM621104
COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2cc1-c1cnn(C(F)F)c1
|
C22H20F5N7O 493.440000 |
UZBFFCBUJQNOPY-HOCLYGCPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621104; PubChem:CID166961614
|
Local ready
Direct docking supported
|
|
E3L031075
BDB031075
|
BDBM621105
COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2cc1-c1cnn(C2CC2)c1
|
C24H24F3N7O 483.498000 |
FUOKGTYXSNVQIW-HKUYNNGSSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621105; PubChem:CID166961703
|
Local ready
Direct docking supported
|
|
E3L031076
BDB031076
|
BDBM621106
COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2cc1-c1cnn(CC(C)(C)O)c1
|
C25H28F3N7O2 515.540000 |
AKLWVZFHNFDHCQ-HKUYNNGSSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621106; PubChem:CID166961617
|
Local ready
Direct docking supported
|
|
E3L031077
BDB031077
|
BDBM621107
COc1cc2ncc(-c3cccc(N[C@H]4CCNC[C@@H]4F)n3)n2cc1-c1cnn(C)c1
|
C22H24FN7O 421.480000 |
NTKWIHLGLPIAOG-IRXDYDNUSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621107; PubChem:CID163818545
|
Local ready
Direct docking supported
|
|
E3L031078
BDB031078
|
BDBM621108
COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(CC(C)(C)O)c1
|
C24H28FN7O2 465.533000 |
HXYSWTZEQZNVDR-HKUYNNGSSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621108; PubChem:CID166961707
|
Local ready
Direct docking supported
|
|
E3L031079
BDB031079
|
BDBM621109
COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(C)c1
|
C21H22FN7O 407.453000 |
WBVTVMHUUOONFL-RDJZCZTQSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621109; PubChem:CID166961654
|
Local ready
Direct docking supported
|
|
E3L031080
BDB031080
|
BDBM621110
COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(C2CC2)c1
|
C23H24FN7O 433.491000 |
CMKUJKFQBWYWBJ-HKUYNNGSSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621110; PubChem:CID166961655
|
Local ready
Direct docking supported
|