| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L016041
BDB016041
|
BDBM347997
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4CCCC4NS(C)(=O)=O)n3)c2)cn1
|
C25H30N8O2S 506.636000 |
GJURUAGJTOURAF-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347997; PubChem:CID121357887
|
Local ready
Direct docking supported
|
|
E3L016042
BDB016042
|
BDBM347998
CC(=O)NC1CCC(Nc2nc(-c3cccc(-c4cnn(C)c4)c3)ncc2-c2nnc(C)s2)CC1
|
C25H28N8OS 488.621000 |
YCDWHIJZUUZCMW-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347998; PubChem:CID121360797
|
Local ready
Direct docking supported
|
|
E3L016043
BDB016043
|
BDBM347999
CC(=O)N[C@@H]1CCC[C@@H]1CNc1nc(-c2cccc(-c3cnn(C)c3)c2)ncc1-c1cnn(C)c1
|
C26H30N8O 470.581000 |
ICZBPTMYVZVEQB-HYBUGGRVSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347999; PubChem:CID121347826
|
Local ready
Direct docking supported
|
|
E3L016044
BDB016044
|
BDBM348000
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N[C@H]4CCC[C@H](O)[C@@H]4O)n3)c2)cn1
|
C24H27N7O2 445.527000 |
UVHWQKYXRJARRI-FDFHNCONSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348000; PubChem:CID121347844
|
Local ready
Direct docking supported
|
|
E3L016045
BDB016045
|
BDBM348001
Cc1nnc(-c2cnc(-c3cccc(-c4cnn(C)c4)c3)nc2NC2CCC(NS(=O)(=O)C3CC3)CC2)s1
|
C26H30N8O2S2 550.714000 |
SNXVABRGTXWOBN-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348001; PubChem:CID121360860
|
Local ready
Direct docking supported
|
|
E3L016046
BDB016046
|
BDBM348002
CC(C)Nc1nc(-c2cccc(-c3cnn(C)c3)c2)ncc1-c1nnc(C2CCNCC2)s1
|
C24H28N8S 460.611000 |
PSLJDZUBNJDMJP-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348002; PubChem:CID121357888
|
Local ready
Direct docking supported
|
|
E3L016047
BDB016047
|
BDBM348003
CC(=O)NC[C@H]1C[C@@H](Nc2nc(-c3cccc(-c4cnn(C)c4)c3)ncc2-c2cnn(C)c2)C1
|
C25H28N8O 456.554000 |
ZOPDRRJPLQTJDQ-LMTLIKQPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM348003
|
Local ready
Direct docking supported
|
|
E3L016048
BDB016048
|
BDBM348004
CC(=O)NC[C@H]1C[C@H](Nc2nc(-c3cccc(-c4cnn(C)c4)c3)ncc2-c2cnn(C)c2)C1
|
C25H28N8O 456.554000 |
ZOPDRRJPLQTJDQ-VVOJOOEHSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM348004
|
Local ready
Direct docking supported
|
|
E3L016049
BDB016049
|
BDBM348005
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCCS(C)(=O)=O)n3)c2)cn1
|
C22H25N7O2S 451.556000 |
GRXHYNHDCWOCIT-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348005; PubChem:CID121357889
|
Local ready
Direct docking supported
|
|
E3L016050
BDB016050
|
BDBM348006
Cc1nnc(-c2cnc(-c3cccc(-c4cnn(C)c4)c3)nc2NC2CCC(F)(F)CC2)s1
|
C23H23F2N7S 467.549000 |
XWSYCQVZTJNFLP-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348006; PubChem:CID121357892
|
Local ready
Direct docking supported
|
|
E3L016051
BDB016051
|
BDBM348007
Cc1ccc(-c2cnc(-c3cccc(-c4cnn(C)c4)c3)nc2NC2CCN(S(C)(=O)=O)CC2)cn1
|
C26H29N7O2S 503.632000 |
MALVNUQJMAUFPP-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348007; PubChem:CID121357890
|
Local ready
Direct docking supported
|
|
E3L016052
BDB016052
|
BDBM348008
Cc1nnc(-c2cnc(-c3cccc(-c4cnn(C)c4)c3)nc2NCC(O)C(F)(F)F)s1
|
C20H18F3N7OS 461.473000 |
JEZMXSIDNJXCNH-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348008; PubChem:CID121357896
|
Local ready
Direct docking supported
|
|
E3L016053
BDB016053
|
BDBM348009
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4CCCOC4)n3)c2)cn1
|
C24H27N7O 429.528000 |
JUEYPYROHVUFAL-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348009; PubChem:CID121357897
|
Local ready
Direct docking supported
|
|
E3L016054
BDB016054
|
BDBM348010
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCC(O)C4)n3)c2)cn1
|
C22H23N7O 401.474000 |
APTFQCJBSOWLMK-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348010; PubChem:CID121357891
|
Local ready
Direct docking supported
|
|
E3L016055
BDB016055
|
BDBM348011
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCC(O)CC4)n3)c2)cn1
|
C23H25N7O 415.501000 |
YWZQSFLJSQHSAX-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348011; PubChem:CID121357899
|
Local ready
Direct docking supported
|
|
E3L016056
BDB016056
|
BDBM348012
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCCC(CO)C4)n3)c2)cn1
|
C24H27N7O 429.528000 |
QOSBOEZPLRNXCX-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348012; PubChem:CID121357893
|
Local ready
Direct docking supported
|
|
E3L016057
BDB016057
|
BDBM348013
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N[C@H]4CC[C@@H](O)CC4)n3)c2)cn1
|
C24H27N7O 429.528000 |
ZBHHGSJIUFAWAM-OYRHEFFESA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM348013
|
Local ready
Direct docking supported
|
|
E3L016058
BDB016058
|
BDBM348014
CN(CCC#N)c1nc(-c2cccc(-c3cnn(C)c3)c2)ncc1-c1cnn(C)c1
|
C22H22N8 398.474000 |
IOAFUECVQSRNGN-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348014; PubChem:CID121357894
|
Local ready
Direct docking supported
|
|
E3L016059
BDB016059
|
BDBM348015
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC(C)(C)C)n3)c2)cn1
|
C22H25N7 387.491000 |
ZZVVPSKFZYCFFP-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348015; PubChem:CID121357895
|
Local ready
Direct docking supported
|
|
E3L016060
BDB016060
|
BDBM348016
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC[C@@H]4CCCC[C@H]4O)n3)c2)cn1
|
C25H29N7O 443.555000 |
VISZBUCCUXLPMM-WMZHIEFXSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348016; PubChem:CID121357898
|
Local ready
Direct docking supported
|