| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009341
BDB009341
|
BDBM214447
CC(C)(C)NC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C20H25FN4O2 372.444000 |
JMEYSBDXVDYRLT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214447; PubChem:CID69322261
|
Local ready
Direct docking supported
|
|
E3L009342
BDB009342
|
BDBM214448
O=C(OCc1ccccc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C28H29FN4O4 504.562000 |
JTDSSCPZQIXNQW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214448; PubChem:CID69323499
|
Local ready
Direct docking supported
|
|
E3L009343
BDB009343
|
BDBM214449
O=C(OCc1ccccc1)N1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C29H31FN4O4 518.589000 |
ZCUSXCYVEISMCW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214449; PubChem:CID69323562
|
Local ready
Direct docking supported
|
|
E3L009344
BDB009344
|
BDBM214450
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2cccc(F)c2)CC1
|
C25H25F2N5O2 465.504000 |
OXOGYMWZBHMBMV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214450; PubChem:CID69320333
|
Local ready
Direct docking supported
|
|
E3L009345
BDB009345
|
BDBM214451
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2ccc(F)cc2)CC1
|
C25H25F2N5O2 465.504000 |
HPKDCKVKAAWABI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214451; PubChem:CID69323461
|
Local ready
Direct docking supported
|
|
E3L009346
BDB009346
|
BDBM214452
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2ccccc2F)CC1
|
C25H25F2N5O2 465.504000 |
TUPHCFTVZYCQQK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214452; PubChem:CID69318348
|
Local ready
Direct docking supported
|
|
E3L009347
BDB009347
|
BDBM214453
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2ccc(F)cc2F)CC1
|
C25H24F3N5O2 483.494000 |
QQQPVQMDUWIWKR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214453; PubChem:CID69317963
|
Local ready
Direct docking supported
|
|
E3L009348
BDB009348
|
BDBM214454
O=C(c1ccco1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C24H24FN5O4 465.485000 |
JBFODBAQBDBYHQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214454; PubChem:CID69321880
|
Local ready
Direct docking supported
|
|
E3L009349
BDB009349
|
BDBM214455
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2ccccc2Cl)CC1
|
C25H25ClFN5O2 481.959000 |
YAPFTLFWVYILRB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214455; PubChem:CID69321785
|
Local ready
Direct docking supported
|
|
E3L009350
BDB009350
|
BDBM214456
O=CN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1N1CCOCC1
|
C24H29FN6O4 484.532000 |
ZDASIRYUJYRFNM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214456; PubChem:CID87783280
|
Local ready
Direct docking supported
|
|
E3L009351
BDB009351
|
BDBM214457
CCN(CC)C(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C24H31FN6O3 470.549000 |
UKEIXDVBGNHROQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214457; PubChem:CID69320135
|
Local ready
Direct docking supported
|
|
E3L009352
BDB009352
|
BDBM214458
CN(C)C(=O)CN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C23H29FN6O3 456.522000 |
BCMKRTYOKFCCCY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214458; PubChem:CID69318490
|
Local ready
Direct docking supported
|
|
E3L009353
BDB009353
|
BDBM214459
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(CCOc2ccccc2)CC1
|
C27H30FN5O3 491.567000 |
YJXNUURTHMISKA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214459; PubChem:CID69323509
|
Local ready
Direct docking supported
|
|
E3L009354
BDB009354
|
BDBM214460
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(S(=O)(=O)c2ccccc2)CC1
|
C25H26FN5O4S 511.579000 |
DRKOYYKZTFWVOO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214460; PubChem:CID69321677
|
Local ready
Direct docking supported
|
|
E3L009355
BDB009355
|
BDBM214461
CC(C)C(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C23H28FN5O3 441.507000 |
UZQCFFALKKONTH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214461; PubChem:CID69323542
|
Local ready
Direct docking supported
|
|
E3L009356
BDB009356
|
BDBM214462
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(CCN2CCOCC2)CC1
|
C25H33FN6O3 484.576000 |
UKNTUTWLZOXDCG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214462; PubChem:CID69321235
|
Local ready
Direct docking supported
|
|
E3L009357
BDB009357
|
BDBM214463
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(C(=O)N2CCCC2)CC1
|
C24H29FN6O3 468.533000 |
YKOUEEOVZJIVRL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214463; PubChem:CID69320406
|
Local ready
Direct docking supported
|
|
E3L009358
BDB009358
|
BDBM214464
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(C(=O)C2CCCCC2)CC1
|
C26H32FN5O3 481.572000 |
RXKMUWJAXRXVPT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214464; PubChem:CID69321069
|
Local ready
Direct docking supported
|
|
E3L009359
BDB009359
|
BDBM214465
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(C(=O)C2CCCO2)CC1
|
C24H28FN5O4 469.517000 |
UCMXUVCQHMLYPS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214465; PubChem:CID69321867
|
Local ready
Direct docking supported
|
|
E3L009360
BDB009360
|
BDBM214466
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(CCN2CCCCC2)CC1
|
C26H35FN6O2 482.604000 |
QMDWBQUXFRVPOF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214466; PubChem:CID69320415
|
Local ready
Direct docking supported
|