| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031081
BDB031081
|
BDBM621111
COc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(CC(C)(C)O)c1
|
C24H27F2N7O2 483.523000 |
WHCMKDGCCYRJKV-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621111; PubChem:CID166961642
|
Local ready
Direct docking supported
|
|
E3L031082
BDB031082
|
BDBM621112
COc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(CC(F)(F)F)c1
|
C22H20F5N7O 493.440000 |
OWSBCGNMLGHERL-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621112; PubChem:CID166961644
|
Local ready
Direct docking supported
|
|
E3L031083
BDB031083
|
BDBM621113
COc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(C)c1
|
C21H21F2N7O 425.443000 |
YZPJEKZOTFSOHR-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621113; PubChem:CID166961646
|
Local ready
Direct docking supported
|
|
E3L031084
BDB031084
|
BDBM621114
COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(C(F)F)c1
|
C21H20F3N7O 443.433000 |
RKSPQOPBECGSGM-HOCLYGCPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621114; PubChem:CID166961605
|
Local ready
Direct docking supported
|
|
E3L031085
BDB031085
|
BDBM621115
OCc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1C1CC1
|
C20H22FN5O 367.428000 |
WMZGRDMNDXPHMF-RDJZCZTQSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621115; PubChem:CID169074480
|
Local ready
Direct docking supported
|
|
E3L031086
BDB031086
|
BDBM621116
CC(C)(O)c1cn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2cc1CO
|
C20H24FN5O2 385.443000 |
VMZCRJAQNNOYPK-HOCLYGCPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621116; PubChem:CID169074527
|
Local ready
Direct docking supported
|
|
E3L031087
BDB031087
|
BDBM621117
CC(C)(O)c1cn2c(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)cnc2cc1CO
|
C21H26FN5O2 399.470000 |
IQBCZHKBLZWXEM-RDJZCZTQSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621117; PubChem:CID169074467
|
Local ready
Direct docking supported
|
|
E3L031088
BDB031088
|
BDBM621118
COc1ccn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1
|
C17H18FN5O 327.363000 |
MCOWNEICYXDEPL-JSGCOSHPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621118; PubChem:CID163766315
|
Local ready
Direct docking supported
|
|
E3L031089
BDB031089
|
BDBM621119
F[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(C4CC4)cn23)n1
|
C19H20FN5 337.402000 |
SRCLLEDPPXOXGH-HOCLYGCPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621119; PubChem:CID166961695
|
Local ready
Direct docking supported
|
|
E3L031090
BDB031090
|
BDBM621120
FC(F)(F)[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(C4CC4)cn23)n1
|
C20H20F3N5 387.409000 |
ZRZMENVDJBJBOY-HOCLYGCPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621120; PubChem:CID166961785
|
Local ready
Direct docking supported
|
|
E3L031091
BDB031091
|
BDBM621121
FC(F)[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(C4CC4)cn23)n1
|
C20H21F2N5 369.419000 |
MINWMNHFXQZNMG-HOCLYGCPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621121; PubChem:CID166961555
|
Local ready
Direct docking supported
|
|
E3L031092
BDB031092
|
BDBM621122
c1cc(N[C@H]2CNCC23CC3)nc(-c2cnc3ccc(C4CC4)cn23)c1
|
C21H23N5 345.450000 |
FTEUGWHCWRSIJU-SFHVURJKSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621122; PubChem:CID163563429
|
Local ready
Direct docking supported
|
|
E3L031093
BDB031093
|
BDBM621123
FC(F)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1
|
C17H16F3N5 347.344000 |
QSSMDRNGJZDMSQ-AAEUAGOBSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621123; PubChem:CID166961538
|
Local ready
Direct docking supported
|
|
E3L031094
BDB031094
|
BDBM621124
CC1(C)CNC[C@@H]1Nc1cccc(-c2cnc3ccc(C(F)F)cn23)n1
|
C19H21F2N5 357.408000 |
KZVISSXNPKKESH-HNNXBMFYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621124; PubChem:CID166961721
|
Local ready
Direct docking supported
|
|
E3L031095
BDB031095
|
BDBM621125
FC(F)c1ccc2ncc(-c3cccc(N[C@H]4CNCC45CC5)n3)n2c1
|
C19H19F2N5 355.392000 |
SNNSTEZDXSIKQW-HNNXBMFYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621125; PubChem:CID163968043
|
Local ready
Direct docking supported
|
|
E3L031096
BDB031096
|
BDBM621126
FC(F)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2c1
|
C18H16F5N5 397.351000 |
YGDAYHUWESEYBV-AAEUAGOBSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621126; PubChem:CID166961811
|
Local ready
Direct docking supported
|
|
E3L031097
BDB031097
|
BDBM621127
CO[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(C(F)F)cn23)n1
|
C18H19F2N5O 359.380000 |
TZUYQGIZCUHALE-ZFWWWQNUSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621127; PubChem:CID166961813
|
Local ready
Direct docking supported
|
|
E3L031098
BDB031098
|
BDBM621128
FC(F)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)F)n3)n2c1
|
C18H17F4N5 379.361000 |
PKAXKMPZRBQIOO-AAEUAGOBSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621128; PubChem:CID166961722
|
Local ready
Direct docking supported
|
|
E3L031099
BDB031099
|
BDBM621129
C[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(C(F)F)cn23)n1
|
C18H19F2N5 343.381000 |
MEBULVBTXSYJKD-FZMZJTMJSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621129; PubChem:CID166961582
|
Local ready
Direct docking supported
|
|
E3L031100
BDB031100
|
BDBM621130
FC(F)c1ccc2ncc(-c3cccc(NC4CCC5(CNC5)C4)n3)n2c1
|
C20H21F2N5 369.419000 |
YEZSPJXJBLNYQO-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621130; PubChem:CID164120461
|
Local ready
Direct docking supported
|