| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062461
BDB062461
|
BDBM50602027
CCc1cc2ncc(CN3CCN(c4ccc(C(C)(C)O)nc4)CC3)cc2[nH]c1=O
|
C23H29N5O2 407.518000 |
AKGAPIJDXHPECB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602027; PubChem:CID168276307
|
Local ready
Direct docking supported
|
|
E3L062462
BDB062462
|
BDBM50602028
CCc1cc2ncc(CN3CCN(c4cnc5cn[nH]c5c4)CC3)cc2[nH]c1=O
|
C21H23N7O 389.463000 |
GVBZXJBCNDEVRT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602028; PubChem:CID168281958
|
Local ready
Direct docking supported
|
|
E3L062463
BDB062463
|
BDBM50602029
CCc1cc2ncc(CN3CCN(c4ccc5[nH]ncc5n4)CC3)cc2[nH]c1=O
|
C21H23N7O 389.463000 |
QJULBGPNAODEGM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602029; PubChem:CID168284246
|
Local ready
Direct docking supported
|
|
E3L062464
BDB062464
|
BDBM50602030
CCc1cc2ncc(CN3CCN(c4ccc5cn[nH]c5n4)CC3)cc2[nH]c1=O
|
C21H23N7O 389.463000 |
SIXPYBLRWJFETC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602030; PubChem:CID168271645
|
Local ready
Direct docking supported
|
|
E3L062465
BDB062465
|
BDBM50602031
CCc1cc2ncc(CN3CCN(c4ccc5cc[nH]c5n4)CC3)cc2[nH]c1=O
|
C22H24N6O 388.475000 |
CKCMEFFRRGTNSY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602031; PubChem:CID168294528
|
Local ready
Direct docking supported
|
|
E3L062466
BDB062466
|
BDBM50602032
CCc1cc2ncc(CN3CCN(c4ccc5oc(=O)[nH]c5c4)CC3)cc2[nH]c1=O
|
C22H23N5O3 405.458000 |
VQGIUGREGZOJMG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602032; PubChem:CID168284779
|
Local ready
Direct docking supported
|
|
E3L062467
BDB062467
|
BDBM50602033
CCc1cc2ncc(CN3CCN(c4ccc5nc(C(F)(F)F)[nH]c5n4)CC3)cc2[nH]c1=O
|
C22H22F3N7O 457.460000 |
IRUQIRGVTCDGBO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602033; PubChem:CID168279198
|
Local ready
Direct docking supported
|
|
E3L062468
BDB062468
|
BDBM50602034
CCc1cc2ncc(CN3CCN(c4cc5c(cn4)NC(=O)CC5)CC3)cc2[nH]c1=O
|
C23H26N6O2 418.501000 |
MEPVROYUXYYJJC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602034; PubChem:CID168292125
|
Local ready
Direct docking supported
|
|
E3L062469
BDB062469
|
BDBM50602035
CCc1cc2ncc(CN3CCN(c4cc5cccc(C(=O)NC)c5cn4)CC3)cc2[nH]c1=O
|
C26H28N6O2 456.550000 |
RLWLFXINNNSDCN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602035; PubChem:CID168283936
|
Local ready
Direct docking supported
|
|
E3L062470
BDB062470
|
BDBM50602036
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)c5nccn45)CC3)cc2[nH]c1=O
|
C24H27N7O2 445.527000 |
JHBYKLGSLRTFEJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602036; PubChem:CID168277891
|
Local ready
Direct docking supported
|
|
E3L062471
BDB062471
|
BDBM50602037
CCc1cc2ncc(CN3CCn4c(cnc4C(=O)NC)C3)cc2[nH]c1=O
|
C19H22N6O2 366.425000 |
LCKFRXLDDGHRAM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602037; PubChem:CID168289054
|
Local ready
Direct docking supported
|
|
E3L062472
BDB062472
|
BDBM50602038
CCc1cc2ncc(CN3CCc4nc(C(=O)NC)ccc4C3)cc2[nH]c1=O
|
C21H23N5O2 377.448000 |
PYZXOAIEYXKOIA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602038; PubChem:CID168274971
|
Local ready
Direct docking supported
|
|
E3L062473
BDB062473
|
BDBM50602039
CCc1cc2ncc(CN3CCc4cc(/C=C/C(=O)NC)ccc4C3)cc2[nH]c1=O
|
C24H26N4O2 402.498000 |
YYUSEXNQXFAVSQ-FNORWQNLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602039; PubChem:CID168294910
|
Local ready
Direct docking supported
|
|
E3L062474
BDB062474
|
BDBM50602040
CCc1cc2ncc(CN3CC4CN(c5ccc(C(=O)NC)nc5)CC4C3)cc2[nH]c1=O
|
C24H28N6O2 432.528000 |
SQDLSZSGNSLBEQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602040; PubChem:CID166021938
|
Local ready
Direct docking supported
|
|
E3L062475
BDB062475
|
BDBM50602041
CCc1cc2ncc(CN3CC4CCC(C3)N4c3ccc(C(=O)NC)nc3)cc2[nH]c1=O
|
C24H28N6O2 432.528000 |
NUNVSSQIAWYGLS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602041; PubChem:CID168177337
|
Local ready
Direct docking supported
|
|
E3L062476
BDB062476
|
BDBM50602042
CCc1cc2ncc(CN3CC4CC(C3)N4c3ccc(C(=O)NC)nc3)cc2[nH]c1=O
|
C23H26N6O2 418.501000 |
MOBQHNSKEVVFJN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602042; PubChem:CID168177342
|
Local ready
Direct docking supported
|
|
E3L062477
BDB062477
|
BDBM50602043
CCc1cc2ncc(CN3C[C@@H]4C[C@H]3CN4c3ccc(C(=O)NC)nc3)cc2[nH]c1=O
|
C23H26N6O2 418.501000 |
CEJMJSUDCBTVDD-ROUUACIJSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602043; PubChem:CID166065629
|
Local ready
Direct docking supported
|
|
E3L062478
BDB062478
|
BDBM50602044
CCc1cc2ncc(CN3CC4(CCN(c5ccc(C(=O)NC)nc5)CC4)C3)cc2[nH]c1=O
|
C25H30N6O2 446.555000 |
RFJVUEIXGZRLJU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602044; PubChem:CID166065636
|
Local ready
Direct docking supported
|
|
E3L062479
BDB062479
|
BDBM50602045
CCc1cc2ncc(CN3CC4(C3)CN(c3ccc(C(=O)NC)nc3)C4)cc2[nH]c1=O
|
C23H26N6O2 418.501000 |
UWTWKRHBLDCXHT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602045; PubChem:CID168177317
|
Local ready
Direct docking supported
|
|
E3L062480
BDB062480
|
BDBM50602046
CCc1cc2ncc(CN3CCC(Nc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C22H26N6O2 406.490000 |
HBJRTNJBCUCSST-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602046; PubChem:CID168177329
|
Local ready
Direct docking supported
|