| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009421
BDB009421
|
BDBM214529
CN1CCN(C2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5c4NCCC5)ccc3F)CC2)CC1
|
C25H33FN6O2 468.577000 |
MWJFQDMAYIJAOX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214529; PubChem:CID69319301
|
Local ready
Direct docking supported
|
|
E3L009422
BDB009422
|
BDBM214530
O=C(c1ccc2ccccc2n1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C29H27FN6O3 526.572000 |
WXSYCJYGXXZPOE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214530; PubChem:CID69320972
|
Local ready
Direct docking supported
|
|
E3L009423
BDB009423
|
BDBM214531
O=C(c1ccc(Cl)nc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C25H24ClFN6O3 510.957000 |
HVEMXILOLGHSTB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214531; PubChem:CID87782650
|
Local ready
Direct docking supported
|
|
E3L009424
BDB009424
|
BDBM214532
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6c5NCCC6)ccc4F)CC3)ccc21
|
C31H31F4N7O3 625.627000 |
SKUCPHTWIBNTQP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM214532
|
Local ready
Direct docking supported
|
|
E3L009425
BDB009425
|
BDBM214533
O=C(c1ccc(O)nc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C25H25FN6O4 492.511000 |
AZVCICSZBIIIMC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214533; PubChem:CID69317800
|
Local ready
Direct docking supported
|
|
E3L009426
BDB009426
|
BDBM214534
O=C(c1cnc(Cl)c(O)c1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C25H24ClFN6O4 526.956000 |
JQXWMLNCVPCVHA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214534; PubChem:CID87781866
|
Local ready
Direct docking supported
|
|
E3L009427
BDB009427
|
BDBM214535
Cc1nc2cc(C(=O)N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6c5NCCC6)ccc4F)CC3)ccc2[nH]1
|
C28H28FN7O3 529.576000 |
GHUMXEOTCZEDMV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214535; PubChem:CID69321676
|
Local ready
Direct docking supported
|
|
E3L009428
BDB009428
|
BDBM214536
O=C(c1ccc2nc[nH]c2c1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C27H26FN7O3 515.549000 |
JPHVGXPTQAJOLI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214536; PubChem:CID69323162
|
Local ready
Direct docking supported
|
|
E3L009429
BDB009429
|
BDBM214537
O=C(c1cnc2ccccc2c1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C29H27FN6O3 526.572000 |
OWCKFGBXLCCFAE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214537; PubChem:CID69321894
|
Local ready
Direct docking supported
|
|
E3L009430
BDB009430
|
BDBM214538
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(C(=O)c2cccnc2Cl)CC1
|
C25H24ClFN6O3 510.957000 |
VUINVDOIRACWBU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214538; PubChem:CID87783236
|
Local ready
Direct docking supported
|
|
E3L009431
BDB009431
|
BDBM214539
O=C(OCc1ccccc1)N1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C28H30FN5O4 519.577000 |
KQPVPCIRXGUAMK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214539; PubChem:CID69319556
|
Local ready
Direct docking supported
|
|
E3L009432
BDB009432
|
BDBM214540
O=C(c1ccncc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C25H25FN6O3 476.512000 |
VFFIAEVQTYLPHP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214540; PubChem:CID69321812
|
Local ready
Direct docking supported
|
|
E3L009433
BDB009433
|
BDBM214541
O=C(c1cccnc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C25H25FN6O3 476.512000 |
NXGMRFWVBWAKAA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214541; PubChem:CID69320211
|
Local ready
Direct docking supported
|
|
E3L009434
BDB009434
|
BDBM214542
O=C(c1cnccn1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C24H24FN7O3 477.500000 |
SVNDWCWXWVHJTA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214542; PubChem:CID69321451
|
Local ready
Direct docking supported
|
|
E3L009435
BDB009435
|
BDBM214543
O=C(c1ccc2[nH]cnc2c1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C27H26FN7O3 515.549000 |
JPHVGXPTQAJOLI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214543; PubChem:CID69323162
|
Local ready
Direct docking supported
|
|
E3L009436
BDB009436
|
BDBM214544
O=C(c1cncnc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C24H24FN7O3 477.500000 |
NEIGHMUOTLRLRK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214544; PubChem:CID69321266
|
Local ready
Direct docking supported
|
|
E3L009437
BDB009437
|
BDBM214545
O=C(c1ccccn1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C25H25FN6O3 476.512000 |
BJTXOSWZNLDXDI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214545; PubChem:CID69317764
|
Local ready
Direct docking supported
|
|
E3L009438
BDB009438
|
BDBM214546
CCOC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C22H26FN5O4 443.479000 |
PHISPOWIFNEIKF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214546; PubChem:CID69323501
|
Local ready
Direct docking supported
|
|
E3L009439
BDB009439
|
BDBM214547
CC1(C)C(=O)NCCN1C(=O)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C21H24FN5O3 413.453000 |
WFQMGWHERGRTOC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214547; PubChem:CID69323238
|
Local ready
Direct docking supported
|
|
E3L009440
BDB009440
|
BDBM214548
C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C28H29FN4O3 488.563000 |
WVCLWQGDFVEDPH-GOSISDBHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214548; PubChem:CID69321089
|
Local ready
Direct docking supported
|