| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L016061
BDB016061
|
BDBM348017
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC[C@H]4CCCC[C@H]4O)n3)c2)cn1
|
C25H29N7O 443.555000 |
VISZBUCCUXLPMM-AUSIDOKSSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348017; PubChem:CID121357905
|
Local ready
Direct docking supported
|
|
E3L016062
BDB016062
|
BDBM348018
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CC(O)C4)n3)c2)cn1
|
C21H21N7O 387.447000 |
SNERGDLBGMRKTO-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348018; PubChem:CID121357900
|
Local ready
Direct docking supported
|
|
E3L016063
BDB016063
|
BDBM348019
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCC4(O)CCCC4)n3)c2)cn1
|
C25H29N7O 443.555000 |
GRGILPUCJDNRMP-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348019; PubChem:CID121357901
|
Local ready
Direct docking supported
|
|
E3L016064
BDB016064
|
BDBM348020
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCC(CCO)C4)n3)c2)cn1
|
C24H27N7O 429.528000 |
JNZQNNYFTQATBT-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348020; PubChem:CID121357906
|
Local ready
Direct docking supported
|
|
E3L016065
BDB016065
|
BDBM348021
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4CCNCC4F)n3)c2)cn1
|
C24H27FN8 446.534000 |
YZLGYMQTFLBEJX-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348021; PubChem:CID121357909
|
Local ready
Direct docking supported
|
|
E3L016066
BDB016066
|
BDBM348022
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCC[C@H]4CO)n3)c2)cn1
|
C23H25N7O 415.501000 |
ZWUJSLCIUAQUIC-FQEVSTJZSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348022; PubChem:CID121357911
|
Local ready
Direct docking supported
|
|
E3L016067
BDB016067
|
BDBM348023
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4(F)CCNCC4)n3)c2)cn1
|
C24H27FN8 446.534000 |
UOHHRJSLBVIKCB-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348023; PubChem:CID121357913
|
Local ready
Direct docking supported
|
|
E3L016068
BDB016068
|
BDBM348024
COC(=O)[C@@H]1CCC[C@H](Nc2nc(-c3cccc(-c4cnn(C)c4)c3)ncc2-c2cnn(C)c2)C1
|
C26H29N7O2 471.565000 |
CKZHNZHPDCAILF-KNQAVFIVSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348024; PubChem:CID121357903
|
Local ready
Direct docking supported
|
|
E3L016069
BDB016069
|
BDBM348025
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N[C@H]4CC[C@H](N5CCOCC5)CC4)n3)c2)cn1
|
C28H34N8O 498.635000 |
OTOZQHGGWWIOOP-SOAUALDESA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM348025
|
Local ready
Direct docking supported
|
|
E3L016070
BDB016070
|
BDBM348026
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4CCN(S(C)(=O)=O)CC4F)n3)c2)cn1
|
C25H29FN8O2S 524.626000 |
BLZVQAUSHZYNBO-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348026; PubChem:CID121357904
|
Local ready
Direct docking supported
|
|
E3L016071
BDB016071
|
BDBM348027
CC(=O)N1CCC(CNc2nc(-c3cccc(-c4cnn(C)c4)c3)ncc2-c2cnn(C)c2)C(F)C1
|
C26H29FN8O 488.571000 |
POJYIORXZRBPCH-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348027; PubChem:CID121357908
|
Local ready
Direct docking supported
|
|
E3L016072
BDB016072
|
BDBM348028
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4(F)CCN(S(C)(=O)=O)CC4)n3)c2)cn1
|
C25H29FN8O2S 524.626000 |
ZLXAHZNUDMVSQS-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348028; PubChem:CID121357907
|
Local ready
Direct docking supported
|
|
E3L016073
BDB016073
|
BDBM348029
CC(=O)N1CCC(F)(CNc2nc(-c3cccc(-c4cnn(C)c4)c3)ncc2-c2cnn(C)c2)CC1
|
C26H29FN8O 488.571000 |
QLRRPGMVGUERAZ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348029; PubChem:CID121357910
|
Local ready
Direct docking supported
|
|
E3L016074
BDB016074
|
BDBM348030
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CCCC4O)n3)c2)cn1
|
C23H25N7O 415.501000 |
UZXZVYGDNUGMGM-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348030; PubChem:CID121357912
|
Local ready
Direct docking supported
|
|
E3L016075
BDB016075
|
BDBM348031
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCC(N)CC4)n3)c2)cn1
|
C23H26N8 414.517000 |
YLQBHUZSTBTNCJ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348031; PubChem:CID121357915
|
Local ready
Direct docking supported
|
|
E3L016076
BDB016076
|
BDBM348032
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4(O)CCNCC4)n3)c2)cn1
|
C24H28N8O 444.543000 |
FGOSQWSPUHKOGY-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348032; PubChem:CID121357914
|
Local ready
Direct docking supported
|
|
E3L016077
BDB016077
|
BDBM348033
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CC[C@@H](N)C4)n3)c2)cn1
|
C22H24N8 400.490000 |
FFIWHOSSFMYQPY-LJQANCHMSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348033; PubChem:CID121357916
|
Local ready
Direct docking supported
|
|
E3L016078
BDB016078
|
BDBM348034
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC45CC(CN)(C4)C5)n3)c2)cn1
|
C24H26N8 426.528000 |
GEEUDQDQXKBOQF-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348034; PubChem:CID121357917
|
Local ready
Direct docking supported
|
|
E3L016079
BDB016079
|
BDBM348035
Cc1nnc(-c2cnc(-c3cccc(-c4cnn(C)c4)c3)nc2NC2CCS(=O)(=O)CC2)s1
|
C22H23N7O2S2 481.607000 |
NIBKKECXOUQTSV-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348035; PubChem:CID121357918
|
Local ready
Direct docking supported
|
|
E3L016080
BDB016080
|
BDBM348036
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CCCCC4O)n3)c2)cn1
|
C24H27N7O 429.528000 |
LMHWBRUNYNTTJK-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348036; PubChem:CID121357919
|
Local ready
Direct docking supported
|