| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009381
BDB009381
|
BDBM214489
CCN(C(C)=O)C1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)C1
|
C23H28FN5O3 441.507000 |
DEYNSYFCMZZMJV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214489; PubChem:CID69320027
|
Local ready
Direct docking supported
|
|
E3L009382
BDB009382
|
BDBM214490
CCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C22H26FN5O3 427.480000 |
AKZNCAQSDYFIKS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214490; PubChem:CID69323790
|
Local ready
Direct docking supported
|
|
E3L009383
BDB009383
|
BDBM214491
CC1NC(=O)N(c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)C1=O
|
C18H18FN5O3 371.372000 |
ZHLXFWNDGMMHPT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214491; PubChem:CID69323983
|
Local ready
Direct docking supported
|
|
E3L009384
BDB009384
|
BDBM214492
COc1ccc(N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5c4NCCC5)ccc3F)CC2)cc1
|
C26H28FN5O3 477.540000 |
AESUYQAOPIHYRM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214492; PubChem:CID69323697
|
Local ready
Direct docking supported
|
|
E3L009385
BDB009385
|
BDBM214493
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5c4NCCC5)ccc3F)CC2)cc1
|
C26H28FN5O5S 541.605000 |
XNOJBASUVPPKBI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214493; PubChem:CID69318244
|
Local ready
Direct docking supported
|
|
E3L009386
BDB009386
|
BDBM214494
COc1ccc(C(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5c4NCCC5)ccc3F)CC2)cc1
|
C27H28FN5O4 505.550000 |
QZJWKQINLBFEHG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214494; PubChem:CID69321329
|
Local ready
Direct docking supported
|
|
E3L009387
BDB009387
|
BDBM214495
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1
|
C26H25F4N5O2 515.511000 |
GOWDNAVVYWZBDK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214495; PubChem:CID69324185
|
Local ready
Direct docking supported
|
|
E3L009388
BDB009388
|
BDBM214496
CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)C1
|
C24H30FN5O4 471.533000 |
PISFHQXKNLDHDJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214496; PubChem:CID69319878
|
Local ready
Direct docking supported
|
|
E3L009389
BDB009389
|
BDBM214497
CN(C)CCCN1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)C1
|
C24H33FN6O2 456.566000 |
POAZSEMPGBKYSJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214497; PubChem:CID69320096
|
Local ready
Direct docking supported
|
|
E3L009390
BDB009390
|
BDBM214498
O=C1NC(Cc2ccccc2)C(=O)N1c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C24H22FN5O3 447.470000 |
GNBZNAMOZJIDSI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214498; PubChem:CID69323477
|
Local ready
Direct docking supported
|
|
E3L009391
BDB009391
|
BDBM214499
O=C(c1ccccc1)C1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C27H27FN4O3 474.536000 |
DJEXFPCGOQCTTB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214499; PubChem:CID69319761
|
Local ready
Direct docking supported
|
|
E3L009392
BDB009392
|
BDBM214500
COc1ccc(C(=O)C2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5c4NCCC5)ccc3F)CC2)cc1
|
C28H29FN4O4 504.562000 |
NBAOHKLOXDVBES-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214500; PubChem:CID69318217
|
Local ready
Direct docking supported
|
|
E3L009393
BDB009393
|
BDBM214501
O=C(c1ccc2cc[nH]c2c1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C28H27FN6O3 514.561000 |
GGFCKAWNVFBKEJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214501; PubChem:CID69317838
|
Local ready
Direct docking supported
|
|
E3L009394
BDB009394
|
BDBM214502
O=C(c1cccc(Cl)c1)C1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C27H26ClFN4O3 508.981000 |
WSEDXLGDUGHXCE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214502; PubChem:CID69321881
|
Local ready
Direct docking supported
|
|
E3L009395
BDB009395
|
BDBM214503
O=C(OCc1ccccc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C27H28FN5O4 505.550000 |
MAXQYFYRRZHMKW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214503; PubChem:CID69321971
|
Local ready
Direct docking supported
|
|
E3L009396
BDB009396
|
BDBM214504
CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)[C@H](c2ccccc2)C1
|
C30H34FN5O4 547.631000 |
HUHZXVNCQRROBO-VWLOTQADSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214504; PubChem:CID90907729
|
Local ready
Direct docking supported
|
|
E3L009397
BDB009397
|
BDBM214505
C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C27H28FN5O3 489.551000 |
FSKRGCZWTPQCDC-QGZVFWFLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214505; PubChem:CID69321094
|
Local ready
Direct docking supported
|
|
E3L009398
BDB009398
|
BDBM214506
CN(C(=O)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)c1ccccc1
|
C23H23FN4O2 406.461000 |
QXAHXNZIALRXIP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214506; PubChem:CID69318723
|
Local ready
Direct docking supported
|
|
E3L009399
BDB009399
|
BDBM214507
CCN(C(C)=O)C1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)C1
|
C24H29FN4O3 440.519000 |
JLLVFFJKZGLHHJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214507; PubChem:CID69321896
|
Local ready
Direct docking supported
|
|
E3L009400
BDB009400
|
BDBM214508
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5c4CCCC5)ccc3F)CC2)cc1
|
C27H29FN4O5S 540.617000 |
IAQRXSJURHNMBT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214508; PubChem:CID69323929
|
Local ready
Direct docking supported
|