| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009361
BDB009361
|
BDBM214467
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(CCN2CCOCC2)CC1
|
C26H34FN5O3 483.588000 |
CESFOAYWMSTGOT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214467; PubChem:CID69321824
|
Local ready
Direct docking supported
|
|
E3L009362
BDB009362
|
BDBM214468
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCC(O)CC1
|
C20H23FN4O3 386.427000 |
WRDSIDFKRBNIBF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214468; PubChem:CID69321649
|
Local ready
Direct docking supported
|
|
E3L009363
BDB009363
|
BDBM214469
Cc1cncc(N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5c4NCCC5)ccc3F)CC2)n1
|
C24H26FN7O2 463.517000 |
BPDBWGNXCNIXSC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214469; PubChem:CID69319430
|
Local ready
Direct docking supported
|
|
E3L009364
BDB009364
|
BDBM214470
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(S(=O)(=O)c2ccccc2)CC1
|
C26H27FN4O4S 510.591000 |
KQMDQDYLWGVUGR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214470; PubChem:CID69322409
|
Local ready
Direct docking supported
|
|
E3L009365
BDB009365
|
BDBM214471
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(C2CCCC2)CC1
|
C25H31FN4O2 438.547000 |
YGKHSGWGLRGYDC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214471; PubChem:CID69323254
|
Local ready
Direct docking supported
|
|
E3L009366
BDB009366
|
BDBM214472
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(C(=O)N2CCCC2)CC1
|
C25H30FN5O3 467.545000 |
IMHLDMWJSSSQBI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214472; PubChem:CID69319466
|
Local ready
Direct docking supported
|
|
E3L009367
BDB009367
|
BDBM214473
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(CCOc2ccccc2)CC1
|
C28H31FN4O3 490.579000 |
RYTNWKHCGPFJOE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214473; PubChem:CID69323166
|
Local ready
Direct docking supported
|
|
E3L009368
BDB009368
|
BDBM214475
CC(C)C(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C24H29FN4O3 440.519000 |
DOTZHLZJJOAQBC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214475; PubChem:CID69321194
|
Local ready
Direct docking supported
|
|
E3L009369
BDB009369
|
BDBM214477
O=C(N[C@H]1CC(=O)N(c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)C1=O)OCc1ccccc1
|
C27H25FN4O5 504.518000 |
VFLSSCPGZYZKGQ-QFIPXVFZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214477; PubChem:CID134157867
|
Local ready
Direct docking supported
|
|
E3L009370
BDB009370
|
BDBM214478
CC(C)C1NC(=O)N(c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)C1=O
|
C20H22FN5O3 399.426000 |
FRQKSYSTXXGQED-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214478; PubChem:CID69323218
|
Local ready
Direct docking supported
|
|
E3L009371
BDB009371
|
BDBM214479
N[C@H]1CC(=O)N(c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)C1=O
|
C19H19FN4O3 370.384000 |
MMKHZMKQDWSTJX-AWEZNQCLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214479; PubChem:CID69317778
|
Local ready
Direct docking supported
|
|
E3L009372
BDB009372
|
BDBM214480
CN1CCN(C(=O)Nc2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C21H26FN5O2 399.470000 |
IOAOTEQZCNPRHH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214480; PubChem:CID69323722
|
Local ready
Direct docking supported
|
|
E3L009373
BDB009373
|
BDBM214481
CCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C23H27FN4O3 426.492000 |
YCGXTQBUOQDIGK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214481; PubChem:CID69323478
|
Local ready
Direct docking supported
|
|
E3L009374
BDB009374
|
BDBM214482
CCS(=O)(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C22H27FN4O4S 462.547000 |
FGOAWWMQQYDPCK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214482; PubChem:CID69317839
|
Local ready
Direct docking supported
|
|
E3L009375
BDB009375
|
BDBM214483
CC(C)(C)C(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C25H31FN4O3 454.546000 |
HPFKKYJEMDVUDO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214483; PubChem:CID69319371
|
Local ready
Direct docking supported
|
|
E3L009376
BDB009376
|
BDBM214484
O=C(COc1ccccc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C28H29FN4O4 504.562000 |
ZZYDYGPGRHTRCE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214484; PubChem:CID69321351
|
Local ready
Direct docking supported
|
|
E3L009377
BDB009377
|
BDBM214485
O=C(COc1ccccc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C27H28FN5O4 505.550000 |
KLNUXGBLYLUKDO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214485; PubChem:CID69317857
|
Local ready
Direct docking supported
|
|
E3L009378
BDB009378
|
BDBM214486
CC(C)(C)C(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C24H30FN5O3 455.534000 |
PVRGCUYGIRVXMN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214486; PubChem:CID69321532
|
Local ready
Direct docking supported
|
|
E3L009379
BDB009379
|
BDBM214487
CCS(=O)(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C21H26FN5O4S 463.535000 |
YPXKZBLIHODTGQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214487; PubChem:CID69321366
|
Local ready
Direct docking supported
|
|
E3L009380
BDB009380
|
BDBM214488
CC(=O)N(C)C1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)C1
|
C22H26FN5O3 427.480000 |
MGSNHENNBWXEFA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214488; PubChem:CID69321965
|
Local ready
Direct docking supported
|