| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042481
BDB042481
|
US12459899, Example 31
Cc1ccc(F)c2c(=O)[nH]c(CCCN3CC[C@H](c4ccc(F)cc4)C3)cc12
|
C23H24F2N2O 382.454000 |
NDOONMIALLTWGZ-KRWDZBQOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783942; PubChem:CID156317935
|
Local ready
Direct docking supported
|
|
E3L042482
BDB042482
|
BDBM783943
Cc1ccc(F)c2c(=O)[nH]c(CCCN3CCC(c4ccc(F)cc4)C3)cc12
|
C23H24F2N2O 382.454000 |
NDOONMIALLTWGZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783943; PubChem:CID156317936
|
Local ready
Direct docking supported
|
|
E3L042483
BDB042483
|
US12459899, Example 33
Cc1ccc(F)c2c(=O)[nH]c(CCCN3CCN(c4ccc(Cl)cc4)CC3)cc12
|
C23H25ClFN3O 413.924000 |
HHWRJEPIQZOGIV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783944; PubChem:CID156318115
|
Local ready
Direct docking supported
|
|
E3L042484
BDB042484
|
US12459899, Example 34
Cc1cc(F)cc2c(=O)[nH]c(CCCN3CCN(c4ccc(C#N)cc4)CC3)cc12
|
C24H25FN4O 404.489000 |
ANRIAHXRVIRYNB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783945; PubChem:CID156317918
|
Local ready
Direct docking supported
|
|
E3L042485
BDB042485
|
US12459899, Example 35
Cc1cc(F)cc2c(=O)[nH]c(CCCN3CCN(c4ccc(C#N)nc4)CC3)cc12
|
C23H24FN5O 405.477000 |
OMSKMSKREMAONU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783946; PubChem:CID156318343
|
Local ready
Direct docking supported
|
|
E3L042486
BDB042486
|
US12459899, Example 36
Cc1cc(F)cc2c(=O)[nH]c(CCCN3CCN(c4ccc(C#N)cn4)CC3)cc12
|
C23H24FN5O 405.477000 |
OZICUJMMRKQTDU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783947; PubChem:CID156318298
|
Local ready
Direct docking supported
|
|
E3L042487
BDB042487
|
US12459899, Example 37
Cc1cc(F)cc2c(=O)[nH]c(CCCN3CCN(c4ccc(C#N)cc4F)CC3)cc12
|
C24H24F2N4O 422.479000 |
WJXNADYVGYPLJA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783948; PubChem:CID156318220
|
Local ready
Direct docking supported
|
|
E3L042488
BDB042488
|
US12459899, Example 38
Cc1cc(F)cc2c(=O)[nH]c(CCCN3CCN(c4ccc(C#N)c(F)c4)CC3)cc12
|
C24H24F2N4O 422.479000 |
CBQMDSUYNCLVIL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783949; PubChem:CID156318006
|
Local ready
Direct docking supported
|
|
E3L042489
BDB042489
|
US12459899, Example 39
Cc1cc(F)cc2c(=O)[nH]c(CCCN3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc12
|
C24H25F4N3O 447.476000 |
SUZPDCVDYPEOPH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783950; PubChem:CID156318890
|
Local ready
Direct docking supported
|
|
E3L042490
BDB042490
|
US12459899, Example 40
Cc1cc(F)cc2c(=O)[nH]c(CCCN3CCN(c4ccc(F)cc4)CC3)cc12
|
C23H25F2N3O 397.469000 |
LXXTXBFGIOLTEI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783951; PubChem:CID156317916
|
Local ready
Direct docking supported
|
|
E3L042491
BDB042491
|
US12459899, Example 41
N#Cc1ccc(C2=CCN(CCCc3cc4cccc(F)c4c(=O)[nH]3)CC2)cc1
|
C24H22FN3O 387.458000 |
NPHKKPPOKMOCKL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783952; PubChem:CID156318334
|
Local ready
Direct docking supported
|
|
E3L042492
BDB042492
|
US12459899, Example 42
O=c1[nH]c(CCCN2CC=C(c3ccc(F)cc3)CC2)cc2cccc(F)c12
|
C23H22F2N2O 380.438000 |
NQHMQFQJRADDQO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783953; PubChem:CID156318030
|
Local ready
Direct docking supported
|
|
E3L042493
BDB042493
|
US12459899, Example 43
O=c1[nH]c(CCCN2CC=C(c3ccc(F)nc3)CC2)cc2cccc(F)c12
|
C22H21F2N3O 381.426000 |
LFHKXRNOQNIPAC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783954; PubChem:CID156318279
|
Local ready
Direct docking supported
|
|
E3L042494
BDB042494
|
US12459899, Example 44
O=c1[nH]c(CCCN2CC=C(c3ccc(F)cn3)CC2)cc2cccc(F)c12
|
C22H21F2N3O 381.426000 |
HAEOLAMVYCEHFV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783955; PubChem:CID156317958
|
Local ready
Direct docking supported
|
|
E3L042495
BDB042495
|
US12459899, Example 45
O=c1[nH]c(CCCN2CC=C(c3ccc(C(F)(F)F)cc3)CC2)cc2cccc(F)c12
|
C24H22F4N2O 430.445000 |
MWFGFXMNLKGCKY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783956; PubChem:CID156318119
|
Local ready
Direct docking supported
|
|
E3L042496
BDB042496
|
US12459899, Example 47
N#Cc1ccc(C2=CCN(CCCc3cc4ccc(F)cc4c(=O)[nH]3)CC2)cc1
|
C24H22FN3O 387.458000 |
CGFUDMKWDZTTSY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783958; PubChem:CID156318338
|
Local ready
Direct docking supported
|
|
E3L042497
BDB042497
|
US12459899, Example 52
N#Cc1ccc(C2=CCN(CCCc3cc4ccc(F)cc4c(=O)[nH]3)CC2)cc1F
|
C24H21F2N3O 405.448000 |
DBSMMQZZMFRXDT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783962; PubChem:CID156318057
|
Local ready
Direct docking supported
|
|
E3L042498
BDB042498
|
US12459899, Example 53
Cc1ccc(F)c2c(=O)[nH]c(CCCN3CC=C(c4ccc(F)cc4)CC3)cc12
|
C24H24F2N2O 394.465000 |
OLWMNYMXWXNIIS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783963; PubChem:CID156319125
|
Local ready
Direct docking supported
|
|
E3L042499
BDB042499
|
US12459899, Example 56
Cc1ccc(F)c2c(=O)[nH]c(CCCN3CC=C(c4ccc([N+](=O)[O-])cc4F)CC3)cc12
|
C24H23F2N3O3 439.462000 |
ZZAACMGIBIDNCS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783966; PubChem:CID156318363
|
Local ready
Direct docking supported
|
|
E3L042500
BDB042500
|
US12459899, Example 59
Cc1cc(F)cc2c(=O)[nH]c(CCCN3CC=C(c4ccc(F)cc4)CC3)cc12
|
C24H24F2N2O 394.465000 |
FITZOPZFYIAYNY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783969; PubChem:CID156317956
|
Local ready
Direct docking supported
|