| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L039661
BDB039661
|
BDBM757028
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)[C@H]4CC[C@H]43)cc2[nH]c1=O
|
C24H28N6O2 432.528000 |
CANZSPMXSMUSHQ-YADHBBJMSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM757028; PubChem:CID170056346
|
Local ready
Direct docking supported
|
|
E3L039662
BDB039662
|
BDBM757029
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)[C@@H]4CC[C@H]43)cc2[nH]c1=O
|
C24H28N6O2 432.528000 |
CANZSPMXSMUSHQ-FGZHOGPDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM757029; PubChem:CID170056352
|
Local ready
Direct docking supported
|
|
E3L039663
BDB039663
|
BDBM757030
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)[C@H]4CC[C@@H]43)cc2[nH]c1=O
|
C24H28N6O2 432.528000 |
CANZSPMXSMUSHQ-VXKWHMMOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM757030; PubChem:CID170058667
|
Local ready
Direct docking supported
|
|
E3L039664
BDB039664
|
BDBM757031
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)[C@@H]4CCC[C@@H]43)cc2[nH]c1=O
|
C25H30N6O2 446.555000 |
IEFSYHDGPQTMNE-XZOQPEGZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM757031; PubChem:CID169748869
|
Local ready
Direct docking supported
|
|
E3L039665
BDB039665
|
BDBM757032
CCc1cc2nnc(CN3CCN(c4ccc(C(=O)NC)nc4)C4C[C@H]43)cc2[nH]c1=O
|
C22H25N7O2 419.489000 |
PPHPURVUIFAHQD-FIWHBWSRSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM757032
|
Local ready
Direct docking supported
|
|
E3L039666
BDB039666
|
BDBM757033
CCc1cc2nnc(CN3CCN(c4ccc(C(=O)NC)nc4)[C@@H]4C[C@@H]43)cc2[nH]c1=O
|
C22H25N7O2 419.489000 |
PPHPURVUIFAHQD-VQTJNVASSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM757033; PubChem:CID170056406
|
Local ready
Direct docking supported
|
|
E3L039667
BDB039667
|
BDBM757034
CCc1cc2nnc(CN3CCN(c4ccc(C(=O)NC)nc4)C4C[C@H]43)cc2[nH]c1=O
|
C22H25N7O2 419.489000 |
PPHPURVUIFAHQD-FIWHBWSRSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM757034
|
Local ready
Direct docking supported
|
|
E3L039668
BDB039668
|
BDBM757035
CCc1nc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)C4C[C@H]43)cc2[nH]c1=O
|
C22H25N7O2 419.489000 |
MBHKTNPQYPMZCA-MRTLOADZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM757035
|
Local ready
Direct docking supported
|
|
E3L039669
BDB039669
|
BDBM757036
CCc1nc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)[C@@H]4C[C@@H]43)cc2[nH]c1=O
|
C22H25N7O2 419.489000 |
MBHKTNPQYPMZCA-RBUKOAKNSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM757036; PubChem:CID170056415
|
Local ready
Direct docking supported
|
|
E3L039670
BDB039670
|
BDBM757037
CCc1nc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)C4C[C@H]43)cc2[nH]c1=O
|
C22H25N7O2 419.489000 |
MBHKTNPQYPMZCA-MRTLOADZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM757037
|
Local ready
Direct docking supported
|
|
E3L039671
BDB039671
|
BDBM757038
CNC(=O)c1ccc(N2CCN(Cc3cnc4c5c(c(=O)[nH]c4c3)CCC5)[C@@H]3CC32)cn1
|
C24H26N6O2 430.512000 |
HIQNGQBSWOVLFK-VQCQRNETSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM757038
|
Local ready
Direct docking supported
|
|
E3L039672
BDB039672
|
BDBM757039
CCc1cc2nnc(CN3CCN(c4ccc(C(=O)NC)nc4)C4CC[C@H]43)cc2[nH]c1=O
|
C23H27N7O2 433.516000 |
QKZGOZNDFYDQOV-VQCQRNETSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM757039
|
Local ready
Direct docking supported
|
|
E3L039673
BDB039673
|
BDBM757040
CCc1cc2nnc(CN3CCN(c4ccc(C(=O)NC)nc4)[C@@H]4CC[C@@H]43)cc2[nH]c1=O
|
C23H27N7O2 433.516000 |
QKZGOZNDFYDQOV-LEWJYISDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM757040; PubChem:CID170056465
|
Local ready
Direct docking supported
|
|
E3L039674
BDB039674
|
BDBM757041
CCc1cc2nnc(CN3CCN(c4ccc(C(=O)NC)nc4)C4CC[C@@H]43)cc2[nH]c1=O
|
C23H27N7O2 433.516000 |
QKZGOZNDFYDQOV-BGERDNNASA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM757041
|
Local ready
Direct docking supported
|
|
E3L039675
BDB039675
|
US20250221987, Example 11-1
CCc1nc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)[C@H]4CC[C@H]43)cc2[nH]c1=O
|
C23H27N7O2 433.516000 |
KCBVLLQJPRAPJT-UXHICEINSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM757042; PubChem:CID170056468
|
Local ready
Direct docking supported
|
|
E3L039676
BDB039676
|
US20250221987, Example 11-1
CCc1nc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)[C@H]4CC[C@H]43)cc2[nH]c1=O
|
C23H27N7O2 433.516000 |
KCBVLLQJPRAPJT-UXHICEINSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM757043; PubChem:CID170056468
|
Local ready
Direct docking supported
|
|
E3L039677
BDB039677
|
BDBM757044
CNC(=O)c1ccc(N2CCN(Cc3cnc4c5c(c(=O)[nH]c4c3)CCC5)[C@@H]3CC[C@H]32)cn1
|
C25H28N6O2 444.539000 |
TZXPRLCNBIYCJF-FGZHOGPDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM757044; PubChem:CID170056515
|
Local ready
Direct docking supported
|
|
E3L039678
BDB039678
|
BDBM757045
CNC(=O)c1ccc(N2CCN(Cc3cnc4c5c(c(=O)[nH]c4c3)CCC5)[C@@H]3CCC32)cn1
|
C25H28N6O2 444.539000 |
TZXPRLCNBIYCJF-ZMFCMNQTSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM757045
|
Local ready
Direct docking supported
|
|
E3L039679
BDB039679
|
BDBM757046
CNC(=O)c1ccc(N2CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)[C@H]3CC[C@H]32)cn1
|
C25H28N6O2 444.539000 |
CVEWKKYMSPEHGN-XZOQPEGZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM757046; PubChem:CID170056542
|
Local ready
Direct docking supported
|
|
E3L039680
BDB039680
|
BDBM757047
CNC(=O)c1ccc(N2CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)[C@@H]3CCC32)cn1
|
C25H28N6O2 444.539000 |
CVEWKKYMSPEHGN-WTQRLHSKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM757047
|
Local ready
Direct docking supported
|