| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L015841
BDB015841
|
BDBM347797
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4CCCN(C(=O)OC(C)(C)C)C4)n3)c2)cn1
|
C29H36N8O2 528.661000 |
BMRQURVCOLLRFY-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347797; PubChem:CID121347772
|
Local ready
Direct docking supported
|
|
E3L015842
BDB015842
|
BDBM347798
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4CCCNC4)n3)c2)cn1
|
C24H28N8 428.544000 |
LGIIEKJRZVRBKX-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347798; PubChem:CID121347751
|
Local ready
Direct docking supported
|
|
E3L015843
BDB015843
|
BDBM347799
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCCC(CNC(=O)OC(C)(C)C)C4)n3)c2)cn1
|
C29H36N8O2 528.661000 |
NJJYQSWBGSKNFI-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347799; PubChem:CID121347775
|
Local ready
Direct docking supported
|
|
E3L015844
BDB015844
|
BDBM347800
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCCC(CN)C4)n3)c2)cn1
|
C24H28N8 428.544000 |
DTZYAFMGDRDSEF-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347800; PubChem:CID121347864
|
Local ready
Direct docking supported
|
|
E3L015845
BDB015845
|
BDBM347801
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4CCNCC4)n3)c2)cn1
|
C24H28N8 428.544000 |
AIYIKSZSMWXXLB-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347801; PubChem:CID121347739
|
Local ready
Direct docking supported
|
|
E3L015846
BDB015846
|
BDBM347802
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(OCC4CCCCO4)n3)c2)cn1
|
C24H26N6O2 430.512000 |
SPTUHLMGDHFMEU-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347802; PubChem:CID121347789
|
Local ready
Direct docking supported
|
|
E3L015847
BDB015847
|
BDBM347803
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(OCC4(C)COC4)n3)c2)cn1
|
C23H24N6O2 416.485000 |
JFRAUNNPKQTZOA-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347803; PubChem:CID121347774
|
Local ready
Direct docking supported
|
|
E3L015848
BDB015848
|
BDBM347804
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCC4CCCNC4)n3)c2)cn1
|
C24H28N8 428.544000 |
VLQGQOAWWLQXOZ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347804; PubChem:CID121347868
|
Local ready
Direct docking supported
|
|
E3L015849
BDB015849
|
BDBM347805
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(OCC4COC4)n3)c2)cn1
|
C22H22N6O2 402.458000 |
YWSVXXZJMDNLAD-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347805; PubChem:CID121347796
|
Local ready
Direct docking supported
|
|
E3L015850
BDB015850
|
BDBM347806
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCC4CCNCC4)n3)c2)cn1
|
C24H28N8 428.544000 |
LIIVGXYIFFAVPR-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347806; PubChem:CID121347877
|
Local ready
Direct docking supported
|
|
E3L015851
BDB015851
|
BDBM347807
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4CCOCC4)n3)c2)cn1
|
C24H27N7O 429.528000 |
JYXZRFURTZGRAR-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347807; PubChem:CID121347808
|
Local ready
Direct docking supported
|
|
E3L015852
BDB015852
|
BDBM347808
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CCN(S(C)(=O)=O)CC4)n3)c2)cn1
|
C24H28N8O2S 492.609000 |
DNVKFXDCKNKODH-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347808; PubChem:CID121347733
|
Local ready
Direct docking supported
|
|
E3L015853
BDB015853
|
BDBM347809
Cc1nnc(-c2cnc(-c3cccc(-c4cnn(C)c4)c3)nc2NC(C)C)s1
|
C20H21N7S 391.504000 |
YNEYTVBTSABBLP-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347809; PubChem:CID121347765
|
Local ready
Direct docking supported
|
|
E3L015854
BDB015854
|
BDBM347810
CC(C)Nc1nc(-c2cccc(-c3cnn(C)c3)c2)ncc1-c1nnc(C(=O)N2CC[C@@H](O)C2)s1
|
C24H26N8O2S 490.593000 |
IUQPAZJLTWMNOZ-GOSISDBHSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347810; PubChem:CID121347759
|
Local ready
Direct docking supported
|
|
E3L015855
BDB015855
|
BDBM347811
Cc1nnc(-c2cnc(-c3cccc(-c4cnn(C)c4)c3)nc2NC2CCCNC2)s1
|
C22H24N8S 432.557000 |
HOBBAZIZPRIAGI-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347811; PubChem:CID121347708
|
Local ready
Direct docking supported
|
|
E3L015856
BDB015856
|
BDBM347812
COC(=O)c1nnc(-c2cnc(-c3cccc(-c4cnn(C)c4)c3)nc2NC2CCCNC2)s1
|
C23H24N8O2S 476.566000 |
IWLJECYMUNPASG-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347812; PubChem:CID121347875
|
Local ready
Direct docking supported
|
|
E3L015857
BDB015857
|
BDBM347813
COC(=O)c1nnc(-c2cnc(-c3cccc(-c4cnn(C)c4)c3)nc2NCC2CNC2)s1
|
C22H22N8O2S 462.539000 |
PYNIUBHGKMKVBV-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347813; PubChem:CID121347816
|
Local ready
Direct docking supported
|
|
E3L015858
BDB015858
|
BDBM347814
Cn1cc(-c2cccc(-c3ncc(-c4nnc(C(=O)N5CC[C@@H](O)C5)s4)c(NC4CCCNC4)n3)c2)cn1
|
C26H29N9O2S 531.646000 |
IRNDZHQEVMLLSR-GFOWMXPYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347814; PubChem:CID121347848
|
Local ready
Direct docking supported
|
|
E3L015859
BDB015859
|
BDBM347815
CC(C)Nc1cc(-c2cccc(-c3cnn(C)c3)c2)ncc1-c1nnc(C(=O)N2CC[C@H](O)C2)s1
|
C25H27N7O2S 489.605000 |
HUECEENCGGTSJN-IBGZPJMESA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347815; PubChem:CID121357734
|
Local ready
Direct docking supported
|
|
E3L015860
BDB015860
|
BDBM347816
CC(C)Nc1cc(-c2cccc(-c3cnn(C)c3)n2)ncc1-c1nnc(C(=O)N2CC[C@H](O)C2)s1
|
C24H26N8O2S 490.593000 |
QDQQVJAKMJJOCH-INIZCTEOSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347816; PubChem:CID121357733
|
Local ready
Direct docking supported
|