| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060321
BDB060321
|
BDBM50548673
N#Cc1ccc(N2CCN(CCCc3cc4c(N)cc(F)cc4c(=O)[nH]3)CC2)cc1
|
C23H24FN5O 405.477000 |
SDQYXOQWRCKNII-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50548673; PubChem:CID126483592
|
Local ready
Direct docking supported
|
|
E3L060322
BDB060322
|
BDBM50548674
N#Cc1ccc(N2CCN(CCCc3cc4c(N)cccc4c(=O)[nH]3)CC2)cc1
|
C23H25N5O 387.487000 |
DQFNQJDEGHPCEJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50548674; PubChem:CID126483579
|
Local ready
Direct docking supported
|
|
E3L060323
BDB060323
|
BDBM50548675
NC(=O)c1ccc(N2CCN(CCCc3cc4c(N)cc(F)cc4c(=O)[nH]3)CC2)cc1
|
C23H26FN5O2 423.492000 |
CLTQHSPVFLJRRV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50548675; PubChem:CID126483567
|
Local ready
Direct docking supported
|
|
E3L060324
BDB060324
|
BDBM50548676
CNC(=O)c1ccc(N2CCN(CCCc3cc4c(N)cc(F)cc4c(=O)[nH]3)CC2)cc1
|
C24H28FN5O2 437.519000 |
NSRSVDVZPFIILV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50548676; PubChem:CID126483601
|
Local ready
Direct docking supported
|
|
E3L060325
BDB060325
|
BDBM50548677
N#Cc1ccc(N2CCN([C@H]3C=C(c4cc5c(N)cc(F)cc5c(=O)[nH]4)CC3)CC2)cc1
|
C25H24FN5O 429.499000 |
PQHSBQMZINJNST-HXUWFJFHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50548677; PubChem:CID118679202
|
Local ready
Direct docking supported
|
|
E3L060326
BDB060326
|
BDBM50548678
N#Cc1ccc(N2CCN([C@@H]3C=C(c4cc5c(N)cc(F)cc5c(=O)[nH]4)CC3)CC2)cc1
|
C25H24FN5O 429.499000 |
PQHSBQMZINJNST-FQEVSTJZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50548678; PubChem:CID118679220
|
Local ready
Direct docking supported
|
|
E3L060327
BDB060327
|
BDBM50548679
N#Cc1ccc(N2CCN([C@H]3C=C(c4cc5c(N)cccc5c(=O)[nH]4)CC3)CC2)cc1
|
C25H25N5O 411.509000 |
UYSWVENMUWDLDZ-HXUWFJFHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50548679; PubChem:CID118679197
|
Local ready
Direct docking supported
|
|
E3L060328
BDB060328
|
BDBM50548680
N#Cc1ccc(N2CCN([C@@H]3C=C(c4cc5c(N)cccc5c(=O)[nH]4)CC3)CC2)cc1
|
C25H25N5O 411.509000 |
UYSWVENMUWDLDZ-FQEVSTJZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50548680; PubChem:CID118679219
|
Local ready
Direct docking supported
|
|
E3L060329
BDB060329
|
BDBM50548681
N#Cc1ccc(N2CCN([C@H]3C=C(c4cc5c(N)cc(F)cc5c(=O)[nH]4)CC3)CC2)c(F)c1
|
C25H23F2N5O 447.489000 |
AXXNBSKROWNMJJ-GOSISDBHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50548681; PubChem:CID154402487
|
Local ready
Direct docking supported
|
|
E3L060330
BDB060330
|
BDBM50548682
N#Cc1ccc(N2CCN([C@@H]3C=C(c4cc5c(N)cc(F)cc5c(=O)[nH]4)CC3)CC2)c(F)c1
|
C25H23F2N5O 447.489000 |
AXXNBSKROWNMJJ-SFHVURJKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50548682; PubChem:CID162643354
|
Local ready
Direct docking supported
|
|
E3L060331
BDB060331
|
BDBM50548683
N#Cc1ccc(N2CCN([C@H]3C=C(c4cc5ncc(F)cc5c(=O)[nH]4)CC3)CC2)cc1
|
C24H22FN5O 415.472000 |
WHQIULPFILPYJQ-HXUWFJFHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50548683; PubChem:CID126602436
|
Local ready
Direct docking supported
|
|
E3L060332
BDB060332
|
BDBM50548684
N#Cc1ccc(N2CCN([C@H]3C=C(c4cc5ncccc5c(=O)[nH]4)CC3)CC2)nc1
|
C23H22N6O 398.470000 |
OQXRCISZYORQBS-GOSISDBHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50548684; PubChem:CID126602483
|
Local ready
Direct docking supported
|
|
E3L060333
BDB060333
|
Parp1-IN-7
N#Cc1ccc(N2CCN([C@H]3C=C(c4cc5ncccc5c(=O)[nH]4)CC3)CC2)cc1
|
C24H23N5O 397.482000 |
IBBZXRLLZKUNIM-HXUWFJFHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50548685; PubChem:CID126602424
|
Local ready
Direct docking supported
|
|
E3L060334
BDB060334
|
BDBM50549241
COc1cc(NC(=O)c2cccc(C(F)(F)F)n2)cc2cn(C3CCN(C)CC3)nc12
|
C21H22F3N5O2 433.434000 |
JSCLLHPBPYFJPK-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50549241; PubChem:CID148115312
|
Local ready
Direct docking supported
|
|
E3L060335
BDB060335
|
BDBM50549242
COc1cc(NC(=O)c2cccc(C(F)(F)F)n2)cc2cn(CCC(C)(C)O)nc12
|
C20H21F3N4O3 422.407000 |
XMCVOKUYKZIZJM-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50549242; PubChem:CID149240638
|
Local ready
Direct docking supported
|
|
E3L060336
BDB060336
|
BDBM50549243
CN(C)CCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(C)(C)O)cc2n1
|
C21H24F3N5O2 435.450000 |
QAOWCAZEVIIQTF-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM50549243
|
Local ready
Direct docking supported
|
|
E3L060337
BDB060337
|
BDBM50549280
CN(C)Cc1ccc(-c2ccc3c(Cl)cc(C(N)=O)n3n2)cc1
|
C17H17ClN4O 328.803000 |
RUOPPILAFNBOIX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549280; PubChem:CID137412266
|
Local ready
Direct docking supported
|
|
E3L060338
BDB060338
|
BDBM50549281
CNCc1ccc(-c2ccc3c(Cl)cc(C(N)=O)n3n2)cc1
|
C16H15ClN4O 314.776000 |
QKOIUSOQBDODLC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549281; PubChem:CID137412268
|
Local ready
Direct docking supported
|
|
E3L060339
BDB060339
|
BDBM50549282
CCN(CC)Cc1ccc(-c2ccc3c(Cl)cc(C(N)=O)n3n2)cc1
|
C19H21ClN4O 356.857000 |
KIYNJNGEZBKLLJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549282; PubChem:CID137412261
|
Local ready
Direct docking supported
|
|
E3L060340
BDB060340
|
BDBM50549283
NC(=O)c1cc(Cl)c2ccc(-c3ccc(CN4CCCC4)cc3)nn12
|
C19H19ClN4O 354.841000 |
FKBZKZYPVUMLNM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549283; PubChem:CID137412263
|
Local ready
Direct docking supported
|