| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050461
BDB050461
|
BDBM50268262
O=C(Nc1cncc(Cn2c(=O)[nH]c(=O)c3ccccc32)c1)[C@H]1CCNC1
|
C19H19N5O3 365.393000 |
IRZDTZKFGZNLMK-ZDUSSCGKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50268262; PubChem:CID137630559
|
Local ready
Direct docking supported
|
|
E3L050462
BDB050462
|
BDBM50268263
O=C(Nc1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)ccc1Cl)[C@H]1CCNC1
|
C20H19ClN4O3 398.850000 |
QYGLHLUQAADQHN-ZDUSSCGKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50268263; PubChem:CID137629612
|
Local ready
Direct docking supported
|
|
E3L050463
BDB050463
|
BDBM50268264
O=C(Nc1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)ccc1Br)[C@H]1CCNC1
|
C20H19BrN4O3 443.301000 |
FXZMQYXWLBPWSQ-ZDUSSCGKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50268264; PubChem:CID137630525
|
Local ready
Direct docking supported
|
|
E3L050464
BDB050464
|
BDBM50268265
O=C(Nc1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)ccc1[N+](=O)[O-])[C@H]1CCNC1
|
C20H19N5O5 409.402000 |
WORXBYMTUUTCOI-ZDUSSCGKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50268265; PubChem:CID137640297
|
Local ready
Direct docking supported
|
|
E3L050465
BDB050465
|
Parp-2-IN-1
O=C(Nc1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)cnc1F)[C@H]1CCN(CC(F)(F)F)C1
|
C21H19F4N5O3 465.407000 |
JZKVDRXHUJSBJE-ZDUSSCGKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50268266; PubChem:CID132576436
|
Local ready
Direct docking supported
|
|
E3L050466
BDB050466
|
BDBM50268267
O=C(Nc1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)cnc1F)[C@H]1CCN(CCC(F)(F)F)C1
|
C22H21F4N5O3 479.434000 |
LLBQUOHKCAYWBR-AWEZNQCLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50268267; PubChem:CID137648174
|
Local ready
Direct docking supported
|
|
E3L050467
BDB050467
|
BDBM50268268
O=C(Nc1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)cnc1F)[C@H]1CCN(CC2CC2)C1
|
C23H24FN5O3 437.475000 |
LZMKLHYIPIJTRL-INIZCTEOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50268268; PubChem:CID137636391
|
Local ready
Direct docking supported
|
|
E3L050468
BDB050468
|
BDBM50268269
O=C(Nc1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)cnc1F)[C@H]1CCN(Cc2ccccc2)C1
|
C26H24FN5O3 473.508000 |
MSZHRPFWZYCRHL-IBGZPJMESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50268269; PubChem:CID137656059
|
Local ready
Direct docking supported
|
|
E3L050469
BDB050469
|
BDBM50268271
COc1ccc(C(=O)c2c(C)n(Cc3cccc(O[C@@H](C)C(=O)O)c3)c3cc(OC(F)(F)F)ccc23)cc1
|
C28H24F3NO6 527.495000 |
FNFJGCIYIRZSBN-KRWDZBQOSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50268271; PubChem:CID44583199
|
Local ready
Direct docking supported
|
|
E3L050470
BDB050470
|
BDBM50268277
O=C(Nc1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)cnc1F)[C@H]1CCN(C(=O)C2CC2)C1
|
C23H22FN5O4 451.458000 |
PTRXVEZPOQLFDC-HNNXBMFYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50268277; PubChem:CID137639614
|
Local ready
Direct docking supported
|
|
E3L050471
BDB050471
|
BDBM50268280
O=C(Nc1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)cnc1F)[C@H]1CCN(C2CCC(F)(F)CC2)C1
|
C25H26F3N5O3 501.509000 |
AYBCRDPWFPGRPP-INIZCTEOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50268280; PubChem:CID137652661
|
Local ready
Direct docking supported
|
|
E3L050472
BDB050472
|
BDBM50268281
O=C(Nc1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)cnc1F)[C@H]1CCN(CCC2CC2)C1
|
C24H26FN5O3 451.502000 |
DKPPZBXQLWTONY-KRWDZBQOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50268281; PubChem:CID137632887
|
Local ready
Direct docking supported
|
|
E3L050473
BDB050473
|
BDBM50268282
CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2Cl)C1
|
C25H27ClN4O5 498.967000 |
TWNKKSWDODFPFW-INIZCTEOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50268282; PubChem:CID137646242
|
Local ready
Direct docking supported
|
|
E3L050474
BDB050474
|
BDBM50268283
CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2Br)C1
|
C25H27BrN4O5 543.418000 |
HDXNXKLFFUORPE-INIZCTEOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50268283; PubChem:CID137642258
|
Local ready
Direct docking supported
|
|
E3L050475
BDB050475
|
BDBM50268284
O=C(Nc1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)cnc1F)[C@H]1CCN(c2ccccc2)C1
|
C25H22FN5O3 459.481000 |
BSBYIGMCJVUHQV-KRWDZBQOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50268284; PubChem:CID132576437
|
Local ready
Direct docking supported
|
|
E3L050476
BDB050476
|
BDBM50268285
CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)cnc2F)C1
|
C24H26FN5O5 483.500000 |
ZZFIQKPNOYYXIV-HNNXBMFYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50268285; PubChem:CID132576435
|
Local ready
Direct docking supported
|
|
E3L050477
BDB050477
|
BDBM50268286
CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)cnc2Cl)C1
|
C24H26ClN5O5 499.955000 |
MDURPWFKFWBOHZ-HNNXBMFYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50268286; PubChem:CID137633502
|
Local ready
Direct docking supported
|
|
E3L050478
BDB050478
|
BDBM50268287
CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)cnc2Br)C1
|
C24H26BrN5O5 544.406000 |
BLAGGKQNYDTZSL-HNNXBMFYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50268287; PubChem:CID137642588
|
Local ready
Direct docking supported
|
|
E3L050479
BDB050479
|
BDBM50268288
CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cncc(Cn3c(=O)[nH]c(=O)c4ccccc43)c2)C1
|
C24H27N5O5 465.510000 |
VQJOUAFFZHWIRB-INIZCTEOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50268288; PubChem:CID137636342
|
Local ready
Direct docking supported
|
|
E3L050480
BDB050480
|
BDBM50269244
COc1cccc(N2CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c1
|
C19H24N4O2 340.427000 |
SGEGLEFCEAUJJJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50269244; PubChem:CID135644892
|
Local ready
Direct docking supported
|