| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L015901
BDB015901
|
BDBM347857
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4COC4)n3)c2)cn1
|
C22H23N7O 401.474000 |
WQIRIBWOZRJVTK-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347857; PubChem:CID121357768
|
Local ready
Direct docking supported
|
|
E3L015902
BDB015902
|
BDBM347858
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC[C@H]4CCNC4)n3)c2)cn1
|
C23H26N8 414.517000 |
FBDUIWWBUPBMON-INIZCTEOSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347858; PubChem:CID121357767
|
Local ready
Direct docking supported
|
|
E3L015903
BDB015903
|
BDBM347859
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CC5(CC(N)C5)C4)n3)c2)cn1
|
C25H28N8 440.555000 |
YRWFHFFBWIAAFJ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347859; PubChem:CID121357769
|
Local ready
Direct docking supported
|
|
E3L015904
BDB015904
|
BDBM347860
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC45CCC(N)(C4)C5)n3)c2)cn1
|
C24H26N8 426.528000 |
URLNTVKUVIIYOT-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347860; PubChem:CID121357770
|
Local ready
Direct docking supported
|
|
E3L015905
BDB015905
|
BDBM347861
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCCCN4CCOC4=O)n3)c2)cn1
|
C24H26N8O2 458.526000 |
QROSHQMASSQXLG-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347861; PubChem:CID121357771
|
Local ready
Direct docking supported
|
|
E3L015906
BDB015906
|
BDBM347862
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCCCO)n3)c2)cn1
|
C21H23N7O 389.463000 |
JMXOXQDPNWCGKA-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347862; PubChem:CID121357772
|
Local ready
Direct docking supported
|
|
E3L015907
BDB015907
|
BDBM347863
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCCN4CCOCC4)n3)c2)cn1
|
C24H28N8O 444.543000 |
TUZXJOVLOLKUAS-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347863; PubChem:CID121357774
|
Local ready
Direct docking supported
|
|
E3L015908
BDB015908
|
BDBM347864
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCCN4CCCC4=O)n3)c2)cn1
|
C24H26N8O 442.527000 |
JOLAPAYECRBRCT-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347864; PubChem:CID121357773
|
Local ready
Direct docking supported
|
|
E3L015909
BDB015909
|
BDBM347865
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCC4(C)CCC4)n3)c2)cn1
|
C24H27N7 413.529000 |
AVKZTTSFWQRQDU-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347865; PubChem:CID121357775
|
Local ready
Direct docking supported
|
|
E3L015910
BDB015910
|
BDBM347866
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCCCN4CCCC4=O)n3)c2)cn1
|
C25H28N8O 456.554000 |
YCAJIYRUJVHXMF-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347866; PubChem:CID121357776
|
Local ready
Direct docking supported
|
|
E3L015911
BDB015911
|
BDBM347867
CC(=O)NCCNc1nc(-c2cccc(-c3cnn(C)c3)c2)ncc1-c1ccn(C)n1
|
C22H24N8O 416.489000 |
JFBRUAXXSYEOLC-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347867; PubChem:CID121360796
|
Local ready
Direct docking supported
|
|
E3L015912
BDB015912
|
BDBM347868
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCC4CCNC(=O)C4)n3)c2)cn1
|
C24H26N8O 442.527000 |
REUJIPZFDHQZPO-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347868; PubChem:CID121357777
|
Local ready
Direct docking supported
|
|
E3L015913
BDB015913
|
BDBM347869
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCCCN4CCOCC4)n3)c2)cn1
|
C25H30N8O 458.570000 |
XHQNKLLJDTUUAT-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347869; PubChem:CID121357778
|
Local ready
Direct docking supported
|
|
E3L015914
BDB015914
|
BDBM347870
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4CCNC(=O)C4)n3)c2)cn1
|
C24H26N8O 442.527000 |
HEHXPMPYWMGQIZ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347870; PubChem:CID121357779
|
Local ready
Direct docking supported
|
|
E3L015915
BDB015915
|
BDBM347871
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4[C@H]5CNC[C@@H]45)n3)c2)cn1
|
C24H26N8 426.528000 |
BYLPPMPGCUCXGL-CBQGHPETSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347871; PubChem:CID121357780
|
Local ready
Direct docking supported
|
|
E3L015916
BDB015916
|
BDBM347872
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCCN4CCOC4=O)n3)c2)cn1
|
C24H26N8O2 458.526000 |
LRXNHBHLNKIDMX-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347872; PubChem:CID121357781
|
Local ready
Direct docking supported
|
|
E3L015917
BDB015917
|
BDBM347873
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(N[C@H]4C[C@@H](S(C)(=O)=O)C4)n3)c2)cn1
|
C23H25N7O2S 463.567000 |
BTHHTUIURXXDQK-KDURUIRLSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM347873
|
Local ready
Direct docking supported
|
|
E3L015918
BDB015918
|
BDBM347874
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NC4CC(F)C4)n3)c2)cn1
|
C22H22FN7 403.465000 |
WFBOEOGRFCZVGH-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347874; PubChem:CID121357784
|
Local ready
Direct docking supported
|
|
E3L015919
BDB015919
|
BDBM347875
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCC4CC(F)(F)C4)n3)c2)cn1
|
C23H23F2N7 435.482000 |
MQYHEQOTZHHFLI-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347875; PubChem:CID121357783
|
Local ready
Direct docking supported
|
|
E3L015920
BDB015920
|
BDBM347876
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NC4CC(O)C4)n3)c2)cn1
|
C22H23N7O 401.474000 |
BFKVITYKFXIVEL-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347876; PubChem:CID121357785
|
Local ready
Direct docking supported
|