| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008361
BDB008361
|
BDBM206073
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(CC(F)(F)F)c2nnc(C(F)(F)F)n21
|
C25H19F7N6O2 568.453000 |
IHNWUYUUOUNZEX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM206073
|
Local ready
Direct docking supported
|
|
E3L008362
BDB008362
|
BDBM206074
CCOC(=O)CC1c2nnc(C(F)(F)F)n2C(C)CN1C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
|
C27H24F4N6O4 572.519000 |
QKBGDYXZAGAIEB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM206074; PubChem:CID73051843
|
Local ready
Direct docking supported
|
|
E3L008363
BDB008363
|
BDBM206075
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C(F)F)n21
|
C23H19F3N6O2 468.439000 |
KLEMFAOWDQXMRO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM206075; PubChem:CID73051683
|
Local ready
Direct docking supported
|
|
E3L008364
BDB008364
|
BDBM206076
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(CF)n21
|
C23H20F2N6O2 450.449000 |
NCVASQJZWCCSRY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM206076; PubChem:CID118136401
|
Local ready
Direct docking supported
|
|
E3L008365
BDB008365
|
BDBM206077
CC1c2nnc(CF)n2C(C)CN1C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
|
C24H22F2N6O2 464.476000 |
MWHSAJKZFXFZTL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM206077; PubChem:CID73051682
|
Local ready
Direct docking supported
|
|
E3L008366
BDB008366
|
BDBM206078
CC1(C)CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(CF)n21
|
C24H22F2N6O2 464.476000 |
VYOJUDGSTANQRE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM206078; PubChem:CID73051681
|
Local ready
Direct docking supported
|
|
E3L008367
BDB008367
|
BDBM206079
Cc1c(Cc2ccc(F)c(C(=O)N3Cc4nnc(C(F)(F)F)n4C(C)C3)c2)n[nH]c(=O)c1C
|
C21H20F4N6O2 464.423000 |
MGYOVIGUEMNGFJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM206079; PubChem:CID73051680
|
Local ready
Direct docking supported
|
|
E3L008368
BDB008368
|
BDBM206080
Cc1cc(Cc2ccc(F)c(C(=O)N3Cc4nnc(C(F)(F)F)n4C(C)C3)c2)n[nH]c1=O
|
C20H18F4N6O2 450.396000 |
FWIRHAHSAWBKNT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM206080; PubChem:CID73051679
|
Local ready
Direct docking supported
|
|
E3L008369
BDB008369
|
BDBM206082
C[C@@H]1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C(F)(F)F)n21
|
C23H18F4N6O2 486.429000 |
QNQFPYADHVFRKQ-GFCCVEGCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM206082; PubChem:CID118136386
|
Local ready
Direct docking supported
|
|
E3L008370
BDB008370
|
BDBM206083
C[C@H]1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C(F)(F)F)n21
|
C23H18F4N6O2 486.429000 |
QNQFPYADHVFRKQ-LBPRGKRZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM206083; PubChem:CID118155541
|
Local ready
Direct docking supported
|
|
E3L008371
BDB008371
|
BDBM206090
NCC1CCN(c2cc3ncccc3cc2NC(=O)c2cnn3cccnc23)CC1
|
C22H23N7O 401.474000 |
BFBOXYLGKAPSFY-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206090; PubChem:CID58056341
|
Local ready
Direct docking supported
|
|
E3L008372
BDB008372
|
BDBM206092
NCC1CCN(c2cc(C(=O)Nc3ccccc3)ccc2NC(=O)c2cnn3cccnc23)CC1
|
C26H27N7O2 469.549000 |
CEOQQVRJCFJERM-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206092; PubChem:CID66665089
|
Local ready
Direct docking supported
|
|
E3L008373
BDB008373
|
BDBM206093
CC(O)C1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)CC1
|
C20H22ClN5O2 399.882000 |
HXEIWJBTKNXMHO-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206093; PubChem:CID58056187
|
Local ready
Direct docking supported
|
|
E3L008374
BDB008374
|
BDBM206094
O=C(Nc1cc2cccnc2cc1O[C@H]1CC[C@@H](O)CC1)c1csc2cncnc12
|
C22H20N4O3S 420.494000 |
MURKOANUFGPGGP-GASCZTMLSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM206094
|
Local ready
Direct docking supported
|
|
E3L008375
BDB008375
|
BDBM206096
COc1cc2ncccc2cc1NC(=O)c1cnn2cc(O)cnc12
|
C17H13N5O3 335.323000 |
UJFKYOVASOKVMM-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206096; PubChem:CID58056281
|
Local ready
Direct docking supported
|
|
E3L008376
BDB008376
|
BDBM206097
COc1cc2nc(NCCO)ccc2cc1NC(=O)c1csc2cncnc12
|
C19H17N5O3S 395.444000 |
APNCLDVFDSDLCS-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206097; PubChem:CID66664703
|
Local ready
Direct docking supported
|
|
E3L008377
BDB008377
|
BDBM206098
COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCCN)nc12
|
C19H18N6O2S 394.460000 |
DURNYYKOVXELMP-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206098; PubChem:CID58056111
|
Local ready
Direct docking supported
|
|
E3L008378
BDB008378
|
BDBM206099
O=C(Nc1cc2cccnc2cc1O[C@H]1CC[C@H](O)CC1)c1csc2cncnc12
|
C22H20N4O3S 420.494000 |
MURKOANUFGPGGP-SHTZXODSSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM206099
|
Local ready
Direct docking supported
|
|
E3L008379
BDB008379
|
BDBM206101
NCC1CCN(c2cc3ncccc3cc2NC(=O)c2csc3cncnc23)CC1
|
C22H22N6OS 418.526000 |
IYZWULIJOWJSKT-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206101; PubChem:CID58056263
|
Local ready
Direct docking supported
|
|
E3L008380
BDB008380
|
BDBM206102
O=C(Nc1cc2cccnc2cc1O[C@@H]1CC[C@@H](O)C1)c1csc2cncnc12
|
C21H18N4O3S 406.467000 |
XPMRQKGHVCXNDM-ZIAGYGMSSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206102; PubChem:CID58056252
|
Local ready
Direct docking supported
|