| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L016501
BDB016501
|
BDBM355824
Cn1cc2c(n1)C(=O)NCC1CCN(CCn3cc(cn3)-c3cccc(n3)C(=O)N2)C1
|
C21H24N8O2 420.477000 |
RDOTWECHZPUBFT-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM355824; PubChem:CID122472082
|
Local ready
Direct docking supported
|
|
E3L016502
BDB016502
|
BDBM355825
CN1CCNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2cnn(c2)CC1
|
C19H22N8O2 394.439000 |
SRPZQITYKMNCOH-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM355825; PubChem:CID122472086
|
Local ready
Direct docking supported
|
|
E3L016503
BDB016503
|
BDBM355826
CN1CCCNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2cnn(c2)CC1
|
C20H24N8O2 408.466000 |
REOARNJFSZRZAR-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM355826; PubChem:CID122472081
|
Local ready
Direct docking supported
|
|
E3L016504
BDB016504
|
BDBM355827
O=C1Nc2cn(C3CCOCC3)nc2C(=O)NCCCCCCn2cc(cn2)-c2cccc1n2
|
C24H29N7O3 463.542000 |
KMRXRCNVWHQNQQ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM355827; PubChem:CID122472083
|
Local ready
Direct docking supported
|
|
E3L016505
BDB016505
|
BDBM355828
O=C1Nc2cn(C3CCOCC3)nc2C(=O)NCCSCCCn2cc(cn2)-c2cccc1n2
|
C23H27N7O3S 481.582000 |
WMIWTQABSHYHQO-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM355828; PubChem:CID122472088
|
Local ready
Direct docking supported
|
|
E3L016506
BDB016506
|
BDBM355829
O=C1Nc2cn(C3CCOCC3)nc2C(=O)NCC[S+]([O-])CCCn2cc(cn2)-c2cccc1n2
|
C23H27N7O4S 497.581000 |
XPYFVPXWJJIFIJ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM355829; PubChem:CID122472090
|
Local ready
Direct docking supported
|
|
E3L016507
BDB016507
|
BDBM355830
O=C1Nc2cn(C3CCOCC3)nc2C(=O)NCCS(=O)(=O)CCCn2cc(cn2)-c2cccc1n2
|
C23H27N7O5S 513.580000 |
WNIHRLHFZDFIJN-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM355830; PubChem:CID122472087
|
Local ready
Direct docking supported
|
|
E3L016508
BDB016508
|
BDBM355831
O=C1Nc2cn(C3CCNCC3)nc2C(=O)NCCCCCCn2cc(cn2)-c2cccc1n2
|
C24H30N8O2 462.558000 |
QSIQLKCEMDYCNP-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM355831; PubChem:CID122472085
|
Local ready
Direct docking supported
|
|
E3L016509
BDB016509
|
BDBM355832
CS(=O)(=O)N1CCC(n2cc3c(n2)C(=O)NCCCCCCn2cc(cn2)-c2cccc(n2)C(=O)N3)CC1
|
C25H32N8O4S 540.650000 |
DNKPCIXTLNUSBO-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM355832; PubChem:CID122472091
|
Local ready
Direct docking supported
|
|
E3L016510
BDB016510
|
BDBM355833
O=C1Nc2cn(C3CCN(C(=O)C4CC4(F)F)CC3)nc2C(=O)NCCCCCCn2cc(cn2)-c2cccc1n2
|
C28H32F2N8O3 566.613000 |
AQLDNCJHOCPKMU-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM355833
|
Local ready
Direct docking supported
|
|
E3L016511
BDB016511
|
BDBM355834
O=C1Nc2cn(C3CCN(C(=O)NC4CC4)CC3)nc2C(=O)NCCCCCCn2cc(cn2)-c2cccc1n2
|
C28H35N9O3 545.648000 |
CAAGOYXFXWKIHV-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM355834
|
Local ready
Direct docking supported
|
|
E3L016512
BDB016512
|
BDBM355835
O=C1Nc2cn(C3CCOCC3)nc2C(=O)NCCOCCn2cc(cn2)-c2cccc1c2
|
C23H26N6O4 450.499000 |
CROQRZWPOTWTIY-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM355835; PubChem:CID122472094
|
Local ready
Direct docking supported
|
|
E3L016513
BDB016513
|
BDBM355836
Cn1cc2c(n1)C(=O)NC1CCN(CC1O)C(=O)OCCn1cc(cn1)-c1cccc(n1)C(=O)N2
|
C22H24N8O5 480.485000 |
WRTZYBOVKITHIR-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM355836; PubChem:CID122472093
|
Local ready
Direct docking supported
|
|
E3L016514
BDB016514
|
BDBM355837
O=C1Nc2cn(C3CCN(CCO)CC3)nc2C(=O)NCCCCCCn2cc(cn2)-c2cccc1n2
|
C26H34N8O3 506.611000 |
GETIDMCBQRRWBD-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM355837; PubChem:CID122472096
|
Local ready
Direct docking supported
|
|
E3L016515
BDB016515
|
BDBM355838
CN(C)CCN1CCC(n2cc3c(n2)C(=O)NCCCCCCn2cc(cn2)-c2cccc(n2)C(=O)N3)CC1
|
C28H39N9O2 533.681000 |
KEOYWHZJNCXELX-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM355838; PubChem:CID122472098
|
Local ready
Direct docking supported
|
|
E3L016516
BDB016516
|
BDBM355839
O=C1Nc2cn(C3CCOCC3)nc2C(=O)NCCCCCCn2cc(cn2)-c2cccc1c2
|
C25H30N6O3 462.554000 |
MLZSRIZQAVOSJV-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM355839; PubChem:CID122472097
|
Local ready
Direct docking supported
|
|
E3L016517
BDB016517
|
BDBM355840
Cn1cc2c(n1)C(=O)NCCC/C=C/Cn1cc(cn1)-c1cccc(n1)C(=O)N2
|
C20H21N7O2 391.435000 |
LUZCLIOCMADQAB-HWKANZROSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM355840; PubChem:CID122472101
|
Local ready
Direct docking supported
|
|
E3L016518
BDB016518
|
BDBM355841
Cn1cc2c(n1)C(=O)NCC/C=C\CCn1cc(cn1)-c1cccc(n1)C(=O)N2
|
C20H21N7O2 391.435000 |
SNFNJAIZBNSLET-IHWYPQMZSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM355841; PubChem:CID122472102
|
Local ready
Direct docking supported
|
|
E3L016519
BDB016519
|
BDBM355842
Cn1cc2c(n1)C(=O)NCC/C=C/CCn1cc(cn1)-c1cccc(n1)C(=O)N2
|
C20H21N7O2 391.435000 |
SNFNJAIZBNSLET-NSCUHMNNSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM355842; PubChem:CID122472100
|
Local ready
Direct docking supported
|
|
E3L016520
BDB016520
|
BDBM355843
Cn1cc2c(n1)C(=O)NC/C=C/CCCn1cc(cn1)-c1cccc(n1)C(=O)N2
|
C20H21N7O2 391.435000 |
VFKSBPDPFVEQDD-DUXPYHPUSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM355843; PubChem:CID122472104
|
Local ready
Direct docking supported
|