| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L015921
BDB015921
|
BDBM347877
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NC[C@@H](O)CO)n3)c2)cn1
|
C21H23N7O2 405.462000 |
ZXICHULZXNAPKS-QGZVFWFLSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347877; PubChem:CID121357786
|
Local ready
Direct docking supported
|
|
E3L015922
BDB015922
|
BDBM347878
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCCN4CCS(=O)(=O)CC4)n3)c2)cn1
|
C24H28N8O2S 492.609000 |
SKBCOTMUGSFDHK-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347878; PubChem:CID121357787
|
Local ready
Direct docking supported
|
|
E3L015923
BDB015923
|
BDBM347879
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCC4CCNC4)n3)c2)cn1
|
C24H28N8 428.544000 |
QXSGPHDMZQVGLJ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347879; PubChem:CID121357788
|
Local ready
Direct docking supported
|
|
E3L015924
BDB015924
|
BDBM347880
Cn1cc(-c2cccc(-c3ncc(-c4cnn([C@H]5CC[C@]6(CCC(=O)N6C)CC5)c4)c(NCC4CCNCC4)n3)c2)cn1
|
C33H41N9O 579.753000 |
GZFJWPAKTFWNOW-HWFQPFARSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM347880
|
Local ready
Direct docking supported
|
|
E3L015925
BDB015925
|
BDBM347881
CN1CCC(CNc2nc(-c3cccc(-c4cnn(C)c4)c3)ncc2-c2cnn([C@H]3CC[C@]4(CCC(=O)N4C)CC3)c2)CC1
|
C34H43N9O 593.780000 |
FOTBDVFUZHABEA-DEAKIZSRSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM347881
|
Local ready
Direct docking supported
|
|
E3L015926
BDB015926
|
BDBM347882
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCCCN)n3)c2)cn1
|
C22H26N8 402.506000 |
CHGPWWZYDWIDOE-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347882; PubChem:CID121357789
|
Local ready
Direct docking supported
|
|
E3L015927
BDB015927
|
BDBM347883
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCCN)n3)c2)cn1
|
C21H24N8 388.479000 |
KFFGSVASBDECCS-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347883; PubChem:CID121357790
|
Local ready
Direct docking supported
|
|
E3L015928
BDB015928
|
BDBM347884
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NC4CC(F)(F)C4)n3)c2)cn1
|
C22H21F2N7 421.455000 |
AWDSDQZZQPXLTB-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347884; PubChem:CID121357791
|
Local ready
Direct docking supported
|
|
E3L015929
BDB015929
|
BDBM347885
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCCN4CCOC4=O)n3)c2)cn1
|
C23H24N8O2 444.499000 |
FBIXIIALDQFJIC-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347885; PubChem:CID121357792
|
Local ready
Direct docking supported
|
|
E3L015930
BDB015930
|
BDBM347886
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4(CO)COC4)n3)c2)cn1
|
C22H23N7O2 417.473000 |
VDJZDCKYHSEFFA-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347886; PubChem:CID121357793
|
Local ready
Direct docking supported
|
|
E3L015931
BDB015931
|
BDBM347887
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NC4(CO)COC4)n3)c2)cn1
|
C22H23N7O2 417.473000 |
KCWAZKNCGYPBLB-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347887; PubChem:CID121357794
|
Local ready
Direct docking supported
|
|
E3L015932
BDB015932
|
BDBM347888
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N[C@H]4CCC[C@@H]4O)n3)c2)cn1
|
C23H25N7O 415.501000 |
UZXZVYGDNUGMGM-SFTDATJTSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347888; PubChem:CID121357795
|
Local ready
Direct docking supported
|
|
E3L015933
BDB015933
|
BDBM347889
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(N[C@H]4CCC[C@@H]4O)n3)c2)cn1
|
C23H25N7O 415.501000 |
SQDDKYMMDDUSDL-SFTDATJTSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347889; PubChem:CID121357802
|
Local ready
Direct docking supported
|
|
E3L015934
BDB015934
|
BDBM347890
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCO)n3)c2)cn1
|
C20H21N7O 375.436000 |
DGUBRTGREJISCA-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347890; PubChem:CID121357796
|
Local ready
Direct docking supported
|
|
E3L015935
BDB015935
|
BDBM347891
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCCCCO)n3)c2)cn1
|
C22H25N7O 403.490000 |
NCYQWMIDVYIEBP-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347891; PubChem:CID121357797
|
Local ready
Direct docking supported
|
|
E3L015936
BDB015936
|
BDBM347892
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NC4CC5(CC(N)C5)C4)n3)c2)cn1
|
C25H28N8 440.555000 |
JJENVQFBWBTJJM-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347892; PubChem:CID121357799
|
Local ready
Direct docking supported
|
|
E3L015937
BDB015937
|
BDBM347893
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NC4CC(CN)(CCl)C4)n3)c2)cn1
|
C24H27ClN8 462.989000 |
DVPWGCAKPXSNCJ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347893; PubChem:CID121357798
|
Local ready
Direct docking supported
|
|
E3L015938
BDB015938
|
BDBM347894
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCCO)n3)c2)cn1
|
C20H21N7O 375.436000 |
PYAJWDOIFFNWNH-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347894; PubChem:CID121357800
|
Local ready
Direct docking supported
|
|
E3L015939
BDB015939
|
BDBM347895
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCCCO)n3)c2)cn1
|
C22H25N7O 403.490000 |
VIZDMWWTLIKWGI-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347895; PubChem:CID121357801
|
Local ready
Direct docking supported
|
|
E3L015940
BDB015940
|
BDBM347896
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NC4CCC(=O)NC4)n3)c2)cn1
|
C23H24N8O 428.500000 |
BPDPAYRDHBVEAV-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM347896; PubChem:CID121357807
|
Local ready
Direct docking supported
|