| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L016081
BDB016081
|
BDBM348037
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC45CC(CNS(C)(=O)=O)(C4)C5)n3)c2)cn1
|
C25H28N8O2S 504.620000 |
ZGPRKEMWOWGUPV-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348037; PubChem:CID121357920
|
Local ready
Direct docking supported
|
|
E3L016082
BDB016082
|
BDBM348038
CC(=O)N[C@@H]1CCN(c2nc(-c3cccc(-c4cnn(C)c4)c3)ncc2-c2cnn(C)c2)C1
|
C24H26N8O 442.527000 |
ZGNSMUYWBZRPGX-OAQYLSRUSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348038; PubChem:CID121357921
|
Local ready
Direct docking supported
|
|
E3L016083
BDB016083
|
BDBM348039
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CC[C@@H](NS(C)(=O)=O)C4)n3)c2)cn1
|
C23H26N8O2S 478.582000 |
DPQLGRWMRSSMDH-HXUWFJFHSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348039; PubChem:CID121357922
|
Local ready
Direct docking supported
|
|
E3L016084
BDB016084
|
BDBM348040
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N[C@H]4CCCC[C@H](O)[C@@H]4O)n3)c2)cn1
|
C25H29N7O2 459.554000 |
JGAOGPNHVTXBLP-RJGXRXQPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348040; PubChem:CID121357923
|
Local ready
Direct docking supported
|
|
E3L016085
BDB016085
|
BDBM348041
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4(O)CCN(S(C)(=O)=O)CC4)n3)c2)cn1
|
C25H30N8O3S 522.635000 |
XPMUXAWUDPOKIW-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348041; PubChem:CID121357924
|
Local ready
Direct docking supported
|
|
E3L016086
BDB016086
|
BDBM348042
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCC(NS(C)(=O)=O)CC4)n3)c2)cn1
|
C24H28N8O2S 492.609000 |
FASBDCBWCGKVME-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348042; PubChem:CID121357928
|
Local ready
Direct docking supported
|
|
E3L016087
BDB016087
|
BDBM348043
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCC4CCCCN4)n3)c2)cn1
|
C25H30N8 442.571000 |
AFHQIYVPFBNONV-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348043; PubChem:CID121357925
|
Local ready
Direct docking supported
|
|
E3L016088
BDB016088
|
BDBM348044
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4(N)CCCCC4)n3)c2)cn1
|
C25H30N8 442.571000 |
NCBVSQWLPZNMKD-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348044; PubChem:CID121357926
|
Local ready
Direct docking supported
|
|
E3L016089
BDB016089
|
BDBM348045
Cc1nnc(-c2cnc(-c3cccc(-c4cnn(C)c4)c3)nc2NC2CCCN(S(C)(=O)=O)CC2)s1
|
C24H28N8O2S2 524.676000 |
VIOGMLCMHMBTBR-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348045; PubChem:CID121357927
|
Local ready
Direct docking supported
|
|
E3L016090
BDB016090
|
BDBM348046
Cc1nnc(-c2cnc(-c3cccc(-c4cnn(C)c4)c3)nc2N[C@H]2CC[C@H](NS(C)(=O)=O)CC2)s1
|
C24H28N8O2S2 524.676000 |
UTIGOFYWZOYJCR-MXVIHJGJSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM348046
|
Local ready
Direct docking supported
|
|
E3L016091
BDB016091
|
BDBM348047
CC(=O)N1CCC(Nc2nc(-c3cccc(-c4cnn(C)c4)c3)ncc2-c2cnn(C)c2)CC1
|
C25H28N8O 456.554000 |
HCVYZVCMHVIECU-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348047; PubChem:CID121357929
|
Local ready
Direct docking supported
|
|
E3L016092
BDB016092
|
BDBM348048
CC(=O)NC1(CNc2nc(-c3cccc(-c4cnn(C)c4)c3)ncc2-c2cnn(C)c2)CCCCC1
|
C27H32N8O 484.608000 |
ZLPOAOZQVOSPDE-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348048; PubChem:CID121357930
|
Local ready
Direct docking supported
|
|
E3L016093
BDB016093
|
BDBM348049
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CCS(=O)(=O)CC4)n3)c2)cn1
|
C23H25N7O2S 463.567000 |
GMIYTDVUKKGWON-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348049; PubChem:CID121357931
|
Local ready
Direct docking supported
|
|
E3L016094
BDB016094
|
BDBM348050
CC(=O)N1CCCCC1CCNc1nc(-c2cccc(-c3cnn(C)c3)c2)ncc1-c1cnn(C)c1
|
C27H32N8O 484.608000 |
MPOBKMHNZGARAK-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348050; PubChem:CID121357937
|
Local ready
Direct docking supported
|
|
E3L016095
BDB016095
|
BDBM348051
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCC4CCCCN4S(C)(=O)=O)n3)c2)cn1
|
C26H32N8O2S 520.663000 |
CPJKJLHVCDICJZ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348051; PubChem:CID121357933
|
Local ready
Direct docking supported
|
|
E3L016096
BDB016096
|
BDBM348052
CC(C)Nc1nc(-c2cccc(-c3cnn(C)c3)c2)ncc1-c1cnn(C)c1
|
C21H23N7 373.464000 |
KJGJMKXKURZKFH-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348052; PubChem:CID121357934
|
Local ready
Direct docking supported
|
|
E3L016097
BDB016097
|
BDBM348053
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCC(CO)C4)n3)c2)cn1
|
C23H25N7O 415.501000 |
GXZYPGJNTBKYLL-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348053; PubChem:CID121357932
|
Local ready
Direct docking supported
|
|
E3L016098
BDB016098
|
BDBM348054
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4(NS(C)(=O)=O)CCCCC4)n3)c2)cn1
|
C26H32N8O2S 520.663000 |
LURSNEIGKLMDIQ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348054; PubChem:CID121357938
|
Local ready
Direct docking supported
|
|
E3L016099
BDB016099
|
BDBM348055
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N[C@H]4CC[C@@H](N5CCOCC5)CC4)n3)c2)cn1
|
C28H34N8O 498.635000 |
OTOZQHGGWWIOOP-PLQXJYEYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM348055
|
Local ready
Direct docking supported
|
|
E3L016100
BDB016100
|
BDBM348056
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCC(CN)C4)n3)c2)cn1
|
C23H26N8 414.517000 |
MOFQFJLPAFFADX-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348056; PubChem:CID121357935
|
Local ready
Direct docking supported
|