| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L015861
BDB015861
|
BDBM347817
Cn1cc(-c2cccc(-c3cc(C(F)(F)F)c(-c4cnn(C5CCOCC5)c4)cn3)c2)cn1
|
C24H22F3N5O 453.468000 |
KPNWQXHBZBTLOB-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347817; PubChem:CID121347799
|
Local ready
Direct docking supported
|
|
E3L015862
BDB015862
|
BDBM347818
Cc1cc(-c2cccc(-c3cnn(C)c3)c2)ncc1-c1cnn(C2CCOCC2)c1
|
C24H25N5O 399.498000 |
VXXIKSAPZAGIIO-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347818; PubChem:CID121347855
|
Local ready
Direct docking supported
|
|
E3L015863
BDB015863
|
BDBM347819
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC(N)=O)n3)c2)cn1
|
C20H20N8O 388.435000 |
ATWHAPQCQVPOPD-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347819; PubChem:CID121347784
|
Local ready
Direct docking supported
|
|
E3L015864
BDB015864
|
BDBM347820
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC(=O)O)n3)c2)cn1
|
C20H19N7O2 389.419000 |
SCMUTEFYRYANBB-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347820; PubChem:CID121347840
|
Local ready
Direct docking supported
|
|
E3L015865
BDB015865
|
BDBM347821
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NC4CCC4)n3)c2)cn1
|
C22H23N7 385.475000 |
ZBILCKVCHWNZTR-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347821; PubChem:CID121347894
|
Local ready
Direct docking supported
|
|
E3L015866
BDB015866
|
BDBM347822
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CC(CN)(CCl)C4)n3)c2)cn1
|
C24H27ClN8 462.989000 |
GNQMVWAIDZQDNV-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347822; PubChem:CID121357735
|
Local ready
Direct docking supported
|
|
E3L015867
BDB015867
|
BDBM347823
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NC4CC4)n3)c2)cn1
|
C21H21N7 371.448000 |
DWIDRABUKHLNQA-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347823; PubChem:CID121357736
|
Local ready
Direct docking supported
|
|
E3L015868
BDB015868
|
BDBM347824
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CC4)n3)c2)cn1
|
C21H21N7 371.448000 |
SDMRQHXJQFKDHV-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347824; PubChem:CID121357737
|
Local ready
Direct docking supported
|
|
E3L015869
BDB015869
|
BDBM347825
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CCC4)n3)c2)cn1
|
C22H23N7 385.475000 |
IQMFQXFGETWXJL-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347825; PubChem:CID121357738
|
Local ready
Direct docking supported
|
|
E3L015870
BDB015870
|
BDBM347826
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CCCC4)n3)c2)cn1
|
C23H25N7 399.502000 |
RGKSTZPSBJCACX-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347826; PubChem:CID121357739
|
Local ready
Direct docking supported
|
|
E3L015871
BDB015871
|
BDBM347827
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NC4CCCC4)n3)c2)cn1
|
C23H25N7 399.502000 |
CTIXZBFOMFMPGZ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347827; PubChem:CID121357742
|
Local ready
Direct docking supported
|
|
E3L015872
BDB015872
|
BDBM347828
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCN)n3)c2)cn1
|
C20H22N8 374.452000 |
YWNDCIFTYAVTGI-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347828; PubChem:CID121357743
|
Local ready
Direct docking supported
|
|
E3L015873
BDB015873
|
BDBM347829
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCCO)n3)c2)cn1
|
C21H23N7O 389.463000 |
UTBPPDSKJWJGTI-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347829; PubChem:CID121357740
|
Local ready
Direct docking supported
|
|
E3L015874
BDB015874
|
BDBM347830
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCN4CCOCC4)n3)c2)cn1
|
C24H28N8O 444.543000 |
FYLOTDUPPSAYRS-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347830; PubChem:CID121357741
|
Local ready
Direct docking supported
|
|
E3L015875
BDB015875
|
BDBM347831
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCc4ccncc4)n3)c2)cn1
|
C24H22N8 422.496000 |
YSCNYLZEOKOABL-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347831; PubChem:CID121357745
|
Local ready
Direct docking supported
|
|
E3L015876
BDB015876
|
BDBM347832
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCN4CCOC4=O)n3)c2)cn1
|
C23H24N8O2 444.499000 |
RINBJISAPYEDAA-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347832; PubChem:CID121357746
|
Local ready
Direct docking supported
|
|
E3L015877
BDB015877
|
BDBM347833
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCN4CCCC4=O)n3)c2)cn1
|
C24H26N8O 442.527000 |
ABEBCQRHEOBPLP-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347833; PubChem:CID121357747
|
Local ready
Direct docking supported
|
|
E3L015878
BDB015878
|
BDBM347834
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCCN4CCCC4=O)n3)c2)cn1
|
C25H28N8O 456.554000 |
LEHSYMBQFQWXNR-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347834; PubChem:CID121357748
|
Local ready
Direct docking supported
|
|
E3L015879
BDB015879
|
BDBM347835
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CCOC4)n3)c2)cn1
|
C22H23N7O 401.474000 |
WMPBJANDRBQKLJ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347835; PubChem:CID121357749
|
Local ready
Direct docking supported
|
|
E3L015880
BDB015880
|
BDBM347836
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4CC(F)(F)C4)n3)c2)cn1
|
C23H23F2N7 435.482000 |
FASAXWZUGXWYCH-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347836; PubChem:CID121357744
|
Local ready
Direct docking supported
|