| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031041
BDB031041
|
US20230303553, Example 52
CCN(CC)c1nc2ccc(-c3nc(Nc4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cn4)ncc3F)cc2s1
|
C29H35FN8O2S 578.718000 |
MVSOCCKVJJXAJQ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621045; PubChem:CID169073914
|
Local ready
Direct docking supported
|
|
E3L031042
BDB031042
|
US20230303553, Example 17
Cc1nc2ccc(-c3nc(Nc4ccc(C(=O)N5CCNCC5)cn4)ncc3F)cc2s1
|
C22H20FN7OS 449.515000 |
UYRUSUBNRZEGRJ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621046; PubChem:CID169073856
|
Local ready
Direct docking supported
|
|
E3L031043
BDB031043
|
US20230303553, Example 53
CCN(CC)c1nc2ccc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)cc2s1
|
C24H27FN8S 478.601000 |
IQPGVUQARGVQGU-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621048; PubChem:CID169073867
|
Local ready
Direct docking supported
|
|
E3L031044
BDB031044
|
US20230303553, Example 18
CCN1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5nc(NC6CCCC6)sc5c4)n3)nc2)CC1
|
C28H31FN8OS 546.676000 |
QKGQVNUHCXZGQO-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621049; PubChem:CID169073902
|
Local ready
Direct docking supported
|
|
E3L031045
BDB031045
|
BDBM621075
CC(C)(C)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1
|
C20H24FN5 353.445000 |
STCDSEJQOLKGFJ-HOCLYGCPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621075; PubChem:CID163974714
|
Local ready
Direct docking supported
|
|
E3L031046
BDB031046
|
BDBM621076
CC(C)(C)c1ccc2ncc(-c3cccc(NC4CCC5(CNC5)C4)n3)n2c1
|
C23H29N5 375.520000 |
FJWADKUXOQKYQJ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621076; PubChem:CID166961775
|
Local ready
Direct docking supported
|
|
E3L031047
BDB031047
|
BDBM621077
CC(C)(C)c1ccc2ncc(-c3cccc(N[C@H]4CNCC45CC5)n3)n2c1
|
C22H27N5 361.493000 |
QITLDLOFVQLFFF-SFHVURJKSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621077; PubChem:CID163899725
|
Local ready
Direct docking supported
|
|
E3L031048
BDB031048
|
BDBM621078
CC1(c2ccc3ncc(-c4cccc(N[C@H]5CNC[C@@H]5F)n4)n3c2)CC1
|
C20H22FN5 351.429000 |
CUCSDZMCHJSJBU-HOCLYGCPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621078; PubChem:CID163500241
|
Local ready
Direct docking supported
|
|
E3L031049
BDB031049
|
BDBM621079
CC1(c2ccc3ncc(-c4cccc(NC5CC6(CNC6)C5)n4)n3c2)CC1
|
C22H25N5 359.477000 |
MXCUSZDSXDTMHC-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621079; PubChem:CID169074477
|
Local ready
Direct docking supported
|
|
E3L031050
BDB031050
|
BDBM621080
CC1(c2ccc3ncc(-c4cccc(NC5CCC6(CNC6)C5)n4)n3c2)CC1
|
C23H27N5 373.504000 |
MJGKLMMMXSNBCX-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621080; PubChem:CID163774523
|
Local ready
Direct docking supported
|
|
E3L031051
BDB031051
|
BDBM621081
CC1(c2ccc3ncc(-c4cccc(N[C@H]5CNC[C@@H]5C(F)(F)F)n4)n3c2)CC1
|
C21H22F3N5 401.436000 |
ZEMQCNHEKKILBX-HOCLYGCPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621081; PubChem:CID164150765
|
Local ready
Direct docking supported
|
|
E3L031052
BDB031052
|
BDBM621082
CO[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(C4(C)CC4)cn23)n1
|
C21H25N5O 363.465000 |
JOGIYNFTOOGHNQ-WMZOPIPTSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621082; PubChem:CID163685187
|
Local ready
Direct docking supported
|
|
E3L031053
BDB031053
|
BDBM621083
CC1(c2ccc3ncc(-c4cccc(N[C@H]5CNCC56CC6)n4)n3c2)CC1
|
C22H25N5 359.477000 |
PAQDWAROQHTQKX-SFHVURJKSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621083; PubChem:CID163858701
|
Local ready
Direct docking supported
|
|
E3L031054
BDB031054
|
BDBM621084
CC(C)(O)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1
|
C19H22FN5O 355.417000 |
KPKVXBUKMZIGPN-ZFWWWQNUSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621084; PubChem:CID163718475
|
Local ready
Direct docking supported
|
|
E3L031055
BDB031055
|
BDBM621085
CC(C)(O)c1ccc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2c1
|
C20H24FN5O 369.444000 |
HXJNPTQRPZSTHS-HOCLYGCPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621085; PubChem:CID166961619
|
Local ready
Direct docking supported
|
|
E3L031056
BDB031056
|
BDBM621086
CC(C)(O)c1ccc2ncc(-c3cccc(N[C@H]4CNCCC4(F)F)n3)n2c1
|
C20H23F2N5O 387.434000 |
IGZHZHVJEZFVIH-INIZCTEOSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621086; PubChem:CID166961620
|
Local ready
Direct docking supported
|
|
E3L031057
BDB031057
|
BDBM621087
CC(C)(O)c1ccc2ncc(-c3nc(N[C@H]4CNC[C@@H]4F)c(F)cc3F)n2c1
|
C19H20F3N5O 391.397000 |
IWAWFGKTGNXQLY-KBPBESRZSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621087; PubChem:CID166961613
|
Local ready
Direct docking supported
|
|
E3L031058
BDB031058
|
BDBM621088
CC(C)(O)c1ccc2ncc(-c3nc(N[C@H]4CNCC[C@@H]4F)c(F)cc3F)n2c1
|
C20H22F3N5O 405.424000 |
MMKIEBBLOVSLAS-WFASDCNBSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621088; PubChem:CID166961716
|
Local ready
Direct docking supported
|
|
E3L031059
BDB031059
|
BDBM621089
F[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(C4(C(F)(F)F)CC4)cn23)n1
|
C20H19F4N5 405.399000 |
RTXQWQORYQXTRG-ZFWWWQNUSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621089; PubChem:CID163944508
|
Local ready
Direct docking supported
|
|
E3L031060
BDB031060
|
BDBM621090
FC(F)(F)C1(c2ccc3ncc(-c4cccc(NC5CC6(CNC6)C5)n4)n3c2)CC1
|
C22H22F3N5 413.447000 |
UAIANIHUMMKHJR-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM621090; PubChem:CID169074472
|
Local ready
Direct docking supported
|