| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008381
BDB008381
|
BDBM206103
O=C(Nc1cc(Cl)ccc1N1CCC(CO)CC1)c1cnn2cc(O)cnc12
|
C19H20ClN5O3 401.854000 |
VJDQIINVHIBHNW-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206103; PubChem:CID58056163
|
Local ready
Direct docking supported
|
|
E3L008382
BDB008382
|
BDBM206104
COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
|
C17H12N4O2S 336.376000 |
WANRGEOLLIFNBS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM206104; PubChem:CID58056356
|
Local ready
Direct docking supported
|
|
E3L008383
BDB008383
|
BDBM206105
O=C(Nc1cc(Cl)ccc1OC1CCC(O)CC1)c1cnn2cc(O)cnc12
|
C19H19ClN4O4 402.838000 |
WRDPDAIOMMMLNR-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206105; PubChem:CID58056300
|
Local ready
Direct docking supported
|
|
E3L008384
BDB008384
|
BDBM206106
O=C(Nc1cc2cccnc2cc1OC1CCC(O)CC1)c1csc2cncnc12
|
C22H20N4O3S 420.494000 |
MURKOANUFGPGGP-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206106; PubChem:CID58056160
|
Local ready
Direct docking supported
|
|
E3L008385
BDB008385
|
BDBM206107
O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cnn2nc(O)cnc12
|
C17H17ClN6O2 372.816000 |
OWIYRPIJTDKPDU-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206107; PubChem:CID117634609
|
Local ready
Direct docking supported
|
|
E3L008386
BDB008386
|
BDBM206108
CC(O)CC(C)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
|
C21H20N4O3S 408.483000 |
HRNAVIYNHGZRMP-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206108; PubChem:CID58056353
|
Local ready
Direct docking supported
|
|
E3L008387
BDB008387
|
BDBM206111
COc1cc2ncccc2cc1NC(=O)c1csc2cnc(N(C)CCO)nc12
|
C20H19N5O3S 409.471000 |
BPTXXXCWMKGAFJ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206111; PubChem:CID58056119
|
Local ready
Direct docking supported
|
|
E3L008388
BDB008388
|
BDBM206112
NCC1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)CC1
|
C19H21ClN6O 384.871000 |
ITDPQZHRPNERLI-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206112; PubChem:CID58056122
|
Local ready
Direct docking supported
|
|
E3L008389
BDB008389
|
BDBM206120
COc1cc2ncccc2cc1NC(=O)c1cnn2cccnc12
|
C17H13N5O2 319.324000 |
XSEHEVHSLWTPPE-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206120; PubChem:CID58056265
|
Local ready
Direct docking supported
|
|
E3L008390
BDB008390
|
BDBM206122
CC(C)(CCO)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
|
C21H20N4O3S 408.483000 |
LBBNQAJEJZYWPT-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206122; PubChem:CID58056304
|
Local ready
Direct docking supported
|
|
E3L008391
BDB008391
|
BDBM206124
CN(C)CC1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cc(O)cnc23)CC1
|
C21H25ClN6O2 428.924000 |
ZXPBSKBKOLENLI-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206124; PubChem:CID56646767
|
Local ready
Direct docking supported
|
|
E3L008392
BDB008392
|
BDBM206130
COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NC3CC3)nc12
|
C20H17N5O2S 391.456000 |
JFKRMJRQGVELFG-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206130; PubChem:CID58056090
|
Local ready
Direct docking supported
|
|
E3L008393
BDB008393
|
BDBM206131
CC(O)C1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)C1
|
C19H20ClN5O2 385.855000 |
FKNJKNHEBUMLTR-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206131; PubChem:CID58056170
|
Local ready
Direct docking supported
|
|
E3L008394
BDB008394
|
BDBM206134
COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCC(O)CO)nc12
|
C20H19N5O4S 425.470000 |
BKDJJDIXKRUBLT-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206134; PubChem:CID58056292
|
Local ready
Direct docking supported
|
|
E3L008395
BDB008395
|
BDBM206136
O=C(Nc1cc(Cl)ccc1N1CCC(CO)CC1)c1csc2cncnc12
|
C19H19ClN4O2S 402.907000 |
RAIGSWRYTFZVQJ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206136; PubChem:CID58056344
|
Local ready
Direct docking supported
|
|
E3L008396
BDB008396
|
BDBM206138
NCCCOc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
|
C19H17N5O2S 379.445000 |
TUAJTUKIIJXVON-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206138; PubChem:CID58056168
|
Local ready
Direct docking supported
|
|
E3L008397
BDB008397
|
BDBM206140
COc1ccc(Cl)cc1NC(=O)c1csc2cnc(NCCN)nc12
|
C16H16ClN5O2S 377.857000 |
UIEHXCCYHAUOFD-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206140; PubChem:CID66664716
|
Local ready
Direct docking supported
|
|
E3L008398
BDB008398
|
BDBM206142
O=C(Nc1cc2ccccc2cc1OC1CCC(O)CC1)c1cnn2cccnc12
|
C23H22N4O3 402.454000 |
FQVCSBNTPQDQSS-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206142; PubChem:CID58056107
|
Local ready
Direct docking supported
|
|
E3L008399
BDB008399
|
BDBM206149
O=C(Nc1cc(Cl)ccc1O[C@H]1CC[C@@H](O)CC1)c1csc2cncnc12
|
C19H18ClN3O3S 403.891000 |
MUYFQIQEBJQOGI-BETUJISGSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM206149
|
Local ready
Direct docking supported
|
|
E3L008400
BDB008400
|
BDBM206151
NCC1CCN(c2ccc(Cl)cc2NC(=O)c2csc3cncnc23)CC1
|
C19H20ClN5OS 401.923000 |
GHAHLIVGSBTTLD-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206151; PubChem:CID58056230
|
Local ready
Direct docking supported
|