| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012461
BDB012461
|
BDBM271356
Cc1cc(=O)n2nc1-c1cccc(c1)CCn1c(nc3ccccc31)NC(=O)c1cccc(c1)C2
|
C28H23N5O2 461.525000 |
QVMXWVKQKAZQSB-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271356; PubChem:CID136213945
|
Local ready
Direct docking supported
|
|
E3L012462
BDB012462
|
BDBM271357
O=C1Nc2nc3ccccc3n2Cc2ccc(O)c(c2)-c2ccc(=O)n(n2)Cc2cccc1c2
|
C26H19N5O3 449.470000 |
JAQCTSCYCJMCON-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271357; PubChem:CID136213946
|
Local ready
Direct docking supported
|
|
E3L012463
BDB012463
|
BDBM271358
O=C1Nc2nc3ccccc3n2Cc2ccc(Cl)c(c2)-c2ccc(=O)n(n2)Cc2cccc1c2
|
C26H18ClN5O2 467.916000 |
QNIQCNGKXMKTIK-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271358; PubChem:CID136213947
|
Local ready
Direct docking supported
|
|
E3L012464
BDB012464
|
BDBM271360
COc1ccc2cc1-c1ccc(=O)n(n1)Cc1cccc(c1)C(=O)Nc1nc3ccccc3n1C2
|
C27H21N5O3 463.497000 |
CFPHRAGDOWGLBX-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271360; PubChem:CID136213948
|
Local ready
Direct docking supported
|
|
E3L012465
BDB012465
|
BDBM271361
O=C1Nc2nc3ccccc3n2Cc2cc(ccn2)-c2ccc(=O)n(n2)Cc2cccc1c2
|
C25H18N6O2 434.459000 |
PWWFCRRYDHPOJZ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271361; PubChem:CID136213949
|
Local ready
Direct docking supported
|
|
E3L012466
BDB012466
|
BDBM271362
O=C1Nc2nc3ccccc3n2CC(O)c2cccc(c2)-c2ccc(=O)n(n2)Cc2cccc1c2
|
C27H21N5O3 463.497000 |
RZUASKDZAMXFIJ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271362; PubChem:CID136213950
|
Local ready
Direct docking supported
|
|
E3L012467
BDB012467
|
BDBM271363
O=C1Nc2nc3ccccc3n2CC(O)CCOc2ccc(=O)n(n2)Cc2cccc1c2
|
C23H21N5O4 431.452000 |
MWBQFSSKOSGUEM-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271363; PubChem:CID136213951
|
Local ready
Direct docking supported
|
|
E3L012468
BDB012468
|
BDBM271364
COc1ccc2cc1Cn1c(nc3ccccc31)NC(=O)c1cccc(c1)Cn1nc-2ccc1=O
|
C27H21N5O3 463.497000 |
WMHQZNBYHVUZGY-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271364; PubChem:CID136213952
|
Local ready
Direct docking supported
|
|
E3L012469
BDB012469
|
BDBM271366
O=C(O)c1ccc2c(c1)nc1n2Cc2cccc(c2)-c2ccc(=O)n(n2)Cc2cccc(c2)C(=O)N1
|
C27H19N5O4 477.480000 |
XNFIOTSAUBKTFG-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM271366
|
Local ready
Direct docking supported
|
|
E3L012470
BDB012470
|
BDBM271367
COc1cc2nc3n(c2cc1OC)CCn1cc(cn1)-c1ccc(=O)n(n1)Cc1cccc(c1)C(=O)N3
|
C26H23N7O4 497.515000 |
JEKNTDXKUAKXQX-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271367; PubChem:CID136213954
|
Local ready
Direct docking supported
|
|
E3L012471
BDB012471
|
BDBM271368
NCCc1ccc2c(c1)nc1n2Cc2cccc(c2)-c2ccc(=O)n(n2)Cc2cccc(c2)C(=O)N1
|
C28H24N6O2 476.540000 |
JLESQMKELACZAP-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM271368
|
Local ready
Direct docking supported
|
|
E3L012472
BDB012472
|
BDBM271369
CC1c2cccc(c2)C(=O)Nc2nc3ccccc3n2Cc2cccc(c2)-c2ccc(=O)n1n2
|
C27H21N5O2 447.498000 |
JXICBWGSPARXSE-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271369; PubChem:CID136213956
|
Local ready
Direct docking supported
|
|
E3L012473
BDB012473
|
BDBM271370
CC(=O)NCCc1ccc2c(c1)nc1n2Cc2cccc(c2)-c2ccc(=O)n(n2)Cc2cccc(c2)C(=O)N1
|
C30H26N6O3 518.577000 |
CVOQTMLCZVEEHH-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM271370
|
Local ready
Direct docking supported
|
|
E3L012474
BDB012474
|
BDBM271371
Cc1cc(=O)n2nc1-c1cnn(c1)CCn1c(nc3ccccc31)NC(=O)c1cccc(c1)C2
|
C25H21N7O2 451.490000 |
FGFDKUUBOVZGGV-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271371; PubChem:CID136213958
|
Local ready
Direct docking supported
|
|
E3L012475
BDB012475
|
BDBM271372
O=C1Nc2nc3cc(CN4CCOCC4)ccc3n2Cc2cccc(c2)-c2ccc(=O)n(n2)Cc2cccc1c2
|
C31H28N6O3 532.604000 |
SFNBUPVUSJJGTO-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM271372
|
Local ready
Direct docking supported
|
|
E3L012476
BDB012476
|
BDBM271373
Cc1nn2c(C)c1-c1ccc(=O)n(n1)Cc1cccc(c1)C(=O)Nc1nc3ccccc3n1CC2
|
C26H23N7O2 465.517000 |
XSSXUEALEQDOGI-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271373; PubChem:CID136213960
|
Local ready
Direct docking supported
|
|
E3L012477
BDB012477
|
BDBM271374
COc1ccc2c(c1)nc1n2Cc2cccc(c2)-c2ccc(=O)n(n2)Cc2cccc(c2)C(=O)N1
|
C27H21N5O3 463.497000 |
ILEOGGMJMSESPO-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271374; PubChem:CID136213961
|
Local ready
Direct docking supported
|
|
E3L012478
BDB012478
|
BDBM271375
Cc1cc(=O)n2nc1OCCC(O)Cn1c(nc3ccccc31)NC(=O)c1cccc(c1)C2
|
C24H23N5O4 445.479000 |
FMXBLVWTRCNHFJ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271375; PubChem:CID136213962
|
Local ready
Direct docking supported
|
|
E3L012479
BDB012479
|
BDBM271376
O=C1Nc2nc3cc(O)ccc3n2Cc2cccc(c2)-c2ccc(=O)n(n2)Cc2cccc1c2
|
C26H19N5O3 449.470000 |
YEDHKGNPFADFQU-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271376; PubChem:CID136213963
|
Local ready
Direct docking supported
|
|
E3L012480
BDB012480
|
BDBM271377
O=C1Nc2nc3ccccc3n2C[C@H](O)[C@@H]2CCCN(C2)c2ccc(=O)n(n2)Cc2cccc1c2
|
C26H26N6O3 470.533000 |
MEDMHQINGWSSFJ-KNQAVFIVSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271377; PubChem:CID136213964
|
Local ready
Direct docking supported
|