| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L016021
BDB016021
|
BDBM347977
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N[C@H]4C[C@@H](NS(C)(=O)=O)C4)n3)c2)cn1
|
C23H26N8O2S 478.582000 |
ICKUQFBSRYDPQK-BGYRXZFFSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM347977
|
Local ready
Direct docking supported
|
|
E3L016022
BDB016022
|
BDBM347978
Cc1nnc(-c2cnc(-c3cccc(-c4cnn(C)c4)c3)nc2NCCNS(C)(=O)=O)s1
|
C20H22N8O2S2 470.584000 |
LVJGYLPHROZBJA-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347978; PubChem:CID121357970
|
Local ready
Direct docking supported
|
|
E3L016023
BDB016023
|
BDBM347979
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N[C@H]4CC[C@H](N)C4)n3)c2)cn1
|
C23H26N8 414.517000 |
UABWFXULANPTAV-PMACEKPBSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347979; PubChem:CID121357878
|
Local ready
Direct docking supported
|
|
E3L016024
BDB016024
|
BDBM347980
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC45CCC(N)(CC4)CC5)n3)c2)cn1
|
C26H30N8 454.582000 |
UVZZNIBRWHBBIY-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347980; PubChem:CID121357877
|
Local ready
Direct docking supported
|
|
E3L016025
BDB016025
|
BDBM347981
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC45CCC(NS(C)(=O)=O)(CC4)CC5)n3)c2)cn1
|
C27H32N8O2S 532.674000 |
OIVGNVDFQYCJRB-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347981; PubChem:CID121357971
|
Local ready
Direct docking supported
|
|
E3L016026
BDB016026
|
BDBM347982
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CC(CN)C4)n3)c2)cn1
|
C23H26N8 414.517000 |
WSVHWKHDOXCPHB-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347982; PubChem:CID121347852
|
Local ready
Direct docking supported
|
|
E3L016027
BDB016027
|
BDBM347983
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CC5CC4N(S(C)(=O)=O)C5)n3)c2)cn1
|
C25H28N8O2S 504.620000 |
LRCCRTWLBUDDTG-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347983; PubChem:CID121357879
|
Local ready
Direct docking supported
|
|
E3L016028
BDB016028
|
BDBM347984
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N[C@H]4CC[C@H](NS(C)(=O)=O)C4)n3)c2)cn1
|
C24H28N8O2S 492.609000 |
NDEMKIYZHBESJY-SFTDATJTSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347984; PubChem:CID121357881
|
Local ready
Direct docking supported
|
|
E3L016029
BDB016029
|
BDBM347985
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CC5CNCC5C4)n3)c2)cn1
|
C24H26N8 426.528000 |
OKSADBZHMRDLQH-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347985; PubChem:CID121357880
|
Local ready
Direct docking supported
|
|
E3L016030
BDB016030
|
BDBM347986
Cc1nnc(-c2cnc(-c3cccc(-c4cnn(C)c4)c3)nc2NCC2CN(S(C)(=O)=O)C2)s1
|
C22H24N8O2S2 496.622000 |
HSJGUJMLHMBFCN-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347986; PubChem:CID121357882
|
Local ready
Direct docking supported
|
|
E3L016031
BDB016031
|
BDBM347987
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CC5CCC4N5)n3)c2)cn1
|
C24H26N8 426.528000 |
KVYKIXYSWVIKMR-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347987; PubChem:CID121357972
|
Local ready
Direct docking supported
|
|
E3L016032
BDB016032
|
BDBM347988
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CCC(CN)CC4)n3)c2)cn1
|
C25H30N8 442.571000 |
YNFYDOJJZKWRID-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347988; PubChem:CID121357883
|
Local ready
Direct docking supported
|
|
E3L016033
BDB016033
|
BDBM347989
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N[C@H]4C[C@@H](CNS(C)(=O)=O)C4)n3)c2)cn1
|
C24H28N8O2S 492.609000 |
VZTDACMGWBXNRQ-NBEIKUQISA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM347989
|
Local ready
Direct docking supported
|
|
E3L016034
BDB016034
|
BDBM347990
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N[C@H]4C[C@H](CNS(C)(=O)=O)C4)n3)c2)cn1
|
C24H28N8O2S 492.609000 |
VZTDACMGWBXNRQ-OQIWPSSASA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM347990
|
Local ready
Direct docking supported
|
|
E3L016035
BDB016035
|
BDBM347991
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N[C@H]4C[C@H](N)C4)n3)c2)cn1
|
C22H24N8 400.490000 |
NRQLGEWVVODBQU-WGSAOQKQSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM347991
|
Local ready
Direct docking supported
|
|
E3L016036
BDB016036
|
BDBM347992
CC(=O)NCC1CCC(Nc2nc(-c3cccc(-c4cnn(C)c4)c3)ncc2-c2cnn(C)c2)CC1
|
C27H32N8O 484.608000 |
NPWIFLLNABNSHT-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347992; PubChem:CID121357884
|
Local ready
Direct docking supported
|
|
E3L016037
BDB016037
|
BDBM347993
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CC5CCC4N5S(C)(=O)=O)n3)c2)cn1
|
C25H28N8O2S 504.620000 |
QMQUBLYFSIGGEW-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347993; PubChem:CID121357885
|
Local ready
Direct docking supported
|
|
E3L016038
BDB016038
|
BDBM347994
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4CCCC4N)n3)c2)cn1
|
C24H28N8 428.544000 |
VVIVYJDDTWZBAC-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347994; PubChem:CID121347814
|
Local ready
Direct docking supported
|
|
E3L016039
BDB016039
|
BDBM347995
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CCC(CNS(C)(=O)=O)CC4)n3)c2)cn1
|
C26H32N8O2S 520.663000 |
PHTLITQNUCULAW-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347995; PubChem:CID121357886
|
Local ready
Direct docking supported
|
|
E3L016040
BDB016040
|
BDBM347996
CC(=O)N[C@H]1C[C@H](Nc2nc(-c3cccc(-c4cnn(C)c4)c3)ncc2-c2cnn(C)c2)C1
|
C24H26N8O 442.527000 |
OEFNVXHEWMKHEF-MEMLXQNLSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM347996
|
Local ready
Direct docking supported
|