| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009281
BDB009281
|
BDBM214357
O=C(c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)N(Cc1ccccc1)Cc1ccccc1
|
C30H29N3O2 463.581000 |
HLMUPQHZRGUXSJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214357; PubChem:CID69043550
|
Local ready
Direct docking supported
|
|
E3L009282
BDB009282
|
BDBM214358
O=C(c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)N(CCO)Cc1ccccc1
|
C25H27N3O3 417.509000 |
JULCUXOTELNIQF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214358; PubChem:CID69047819
|
Local ready
Direct docking supported
|
|
E3L009283
BDB009283
|
BDBM214359
CN(CCc1ccccn1)C(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H26N4O2 402.498000 |
AJENFYXYXHKUJQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214359; PubChem:CID69042851
|
Local ready
Direct docking supported
|
|
E3L009284
BDB009284
|
BDBM214360
COc1ccc(CCN(C)C(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1OC
|
C27H31N3O4 461.562000 |
AFVFXRPBJLMGQG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214360; PubChem:CID69043447
|
Local ready
Direct docking supported
|
|
E3L009285
BDB009285
|
BDBM214364
O=C(c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
|
C28H29N5O3 483.572000 |
LAXVCZVKLHXDST-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214364; PubChem:CID69090743
|
Local ready
Direct docking supported
|
|
E3L009286
BDB009286
|
BDBM214365
CN1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)CC1
|
C21H26N4O2 366.465000 |
LPOKFGCDKUYNRF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214365; PubChem:CID69045361
|
Local ready
Direct docking supported
|
|
E3L009287
BDB009287
|
BDBM214367
O=CN1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)CC1
|
C21H24N4O3 380.448000 |
FDNWXLLCEDZDJA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214367; PubChem:CID87780180
|
Local ready
Direct docking supported
|
|
E3L009288
BDB009288
|
BDBM214369
O=C(c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)N1CCN(CCO)CC1
|
C22H28N4O3 396.491000 |
XGXCENIYGKGHNC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214369; PubChem:CID25151107
|
Local ready
Direct docking supported
|
|
E3L009289
BDB009289
|
BDBM214373
O=C(c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)N1CCN(CCOCCO)CC1
|
C24H32N4O4 440.544000 |
LXMZBBOUUXPUMS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214373; PubChem:CID69045509
|
Local ready
Direct docking supported
|
|
E3L009290
BDB009290
|
BDBM214378
O=c1[nH]nc(Cc2ccc(F)c(N3CCCCS3(=O)=O)c2)c2c1CCCC2
|
C19H22FN3O3S 391.468000 |
JDBVSHSEKGBPDH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214378; PubChem:CID25007593
|
Local ready
Direct docking supported
|
|
E3L009291
BDB009291
|
BDBM214379
O=C1CCN1c1cc(Cc2n[nH]c(=O)c3cccnc23)ccc1F
|
C17H13FN4O2 324.315000 |
ZTYUDAMXDJVAFE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214379; PubChem:CID69042862
|
Local ready
Direct docking supported
|
|
E3L009292
BDB009292
|
BDBM214380
O=c1[nH]nc(Cc2ccc(F)c(Cl)c2)c2c1CCCN2
|
C14H13ClFN3O 293.729000 |
LJDWWKBJFSNJOC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214380; PubChem:CID25002580
|
Local ready
Direct docking supported
|
|
E3L009293
BDB009293
|
BDBM214381
CC(c1ccc(F)c(N2CCC2=O)c1)c1n[nH]c(=O)c2c1CCCC2
|
C19H20FN3O2 341.386000 |
SCHADRKRZHWJBN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214381; PubChem:CID69043931
|
Local ready
Direct docking supported
|
|
E3L009294
BDB009294
|
BDBM214383
O=C(CN1CCCC1=O)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C21H23FN4O3 398.438000 |
UYUTZDQMFUDTRB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214383; PubChem:CID25002227
|
Local ready
Direct docking supported
|
|
E3L009295
BDB009295
|
BDBM214385
CC(=O)CCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C21H24FN3O3 385.439000 |
TWOWQFUKCHQDEG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214385; PubChem:CID25002229
|
Local ready
Direct docking supported
|
|
E3L009296
BDB009296
|
BDBM214386
COCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C19H22FN3O3 359.401000 |
JCOLAIJJVAEHKY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214386; PubChem:CID25002230
|
Local ready
Direct docking supported
|
|
E3L009297
BDB009297
|
BDBM214388
CN(C)c1ccc(Cc2n[nH]c(=O)c3c2CCCC3)cc1NC(=O)OCc1ccccc1
|
C25H28N4O3 432.524000 |
ZXFCEAAWPFYTSJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214388; PubChem:CID69044130
|
Local ready
Direct docking supported
|
|
E3L009298
BDB009298
|
BDBM214389
O=c1[nH]nc(-c2ccc(F)c(Br)c2)c2c1CCCC2
|
C14H12BrFN2O 323.165000 |
BZRDJVDRGSADSZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214389; PubChem:CID69047876
|
Local ready
Direct docking supported
|
|
E3L009299
BDB009299
|
BDBM214391
NC(=O)c1cc(Cc2n[nH]c(=O)c3cccnc23)ccc1F
|
C15H11FN4O2 298.277000 |
YTJMKUQXMPEVAF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214391; PubChem:CID69045351
|
Local ready
Direct docking supported
|
|
E3L009300
BDB009300
|
BDBM214392
Nc1cc(Cc2n[nH]c(=O)c3cccnc23)ccc1F
|
C14H11FN4O 270.267000 |
LUOQWJKNCGOICE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214392; PubChem:CID69042821
|
Local ready
Direct docking supported
|