| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042561
BDB042561
|
US12459899, Example 125
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CC=C(c4ccc(F)cc4)CC3)cc12
|
C24H22F2N2O2 408.448000 |
JLVDROOFKQNUSM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784033; PubChem:CID156318024
|
Local ready
Direct docking supported
|
|
E3L042562
BDB042562
|
US12459899, Example 126
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCN(c4ccc(C#N)c(F)c4)CC3)cc12
|
C24H22F2N4O2 436.462000 |
AFKASUYCUHMXQA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784034; PubChem:CID156318991
|
Local ready
Direct docking supported
|
|
E3L042563
BDB042563
|
US12459899, Example 127
[C-]#[N+]c1ccccc1N1CCN(C(=O)CCc2cc3c(C)ccc(F)c3c(=O)[nH]2)CC1
|
C24H23FN4O2 418.472000 |
MJMZSKCYSKNLFS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784035; PubChem:CID167326915
|
Local ready
Direct docking supported
|
|
E3L042564
BDB042564
|
US12459899, Example 129
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CC=C(c4ccc(F)nc4)CC3)cc12
|
C23H21F2N3O2 409.436000 |
QLLPWLVCLDZZDC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784037; PubChem:CID156317998
|
Local ready
Direct docking supported
|
|
E3L042565
BDB042565
|
US12459899, Example 130
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CC=C(c4ccc(F)cn4)CC3)cc12
|
C23H21F2N3O2 409.436000 |
IJEOVSOKPOUEOZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784038; PubChem:CID156318212
|
Local ready
Direct docking supported
|
|
E3L042566
BDB042566
|
US12459899, Example 131
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc12
|
C23H23ClFN3O2 427.907000 |
HTXGQMMBDNEQDK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784039; PubChem:CID156318305
|
Local ready
Direct docking supported
|
|
E3L042567
BDB042567
|
US12459899, Example 132
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCN(c4ccc(F)cc4F)CC3)cc12
|
C23H22F3N3O2 429.442000 |
FASOYWAXAJDQDE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784040; PubChem:CID156318102
|
Local ready
Direct docking supported
|
|
E3L042568
BDB042568
|
US12459899, Example 133
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCN(c4cc(C#N)ccc4F)CC3)cc12
|
C24H22F2N4O2 436.462000 |
RXFYUFNWGXGUFA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784041; PubChem:CID156317929
|
Local ready
Direct docking supported
|
|
E3L042569
BDB042569
|
US12459899, Example 134
[C-]#[N+]c1ccc(F)cc1N1CCN(C(=O)CCc2cc3c(C)ccc(F)c3c(=O)[nH]2)CC1
|
C24H22F2N4O2 436.462000 |
WXDQYKGPFCWPFI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784042; PubChem:CID167326901
|
Local ready
Direct docking supported
|
|
E3L042570
BDB042570
|
BDBM784043
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCN(c4ccc(F)c(C#N)c4)CC3)cc12
|
C24H22F2N4O2 436.462000 |
BCXFDWRVBIKOBY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784043; PubChem:CID156317977
|
Local ready
Direct docking supported
|
|
E3L042571
BDB042571
|
US12459899, Example 136
[C-]#[N+]c1cc(F)ccc1N1CCN(C(=O)CCc2cc3c(C)ccc(F)c3c(=O)[nH]2)CC1
|
C24H22F2N4O2 436.462000 |
MDFXAYWYCXSSCT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784044; PubChem:CID167326920
|
Local ready
Direct docking supported
|
|
E3L042572
BDB042572
|
US12459899, Example 137
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CC=C(c4cc(C#N)ccc4F)CC3)cc12
|
C25H21F2N3O2 433.458000 |
WMFPYKPDXJUDHP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784045; PubChem:CID156318078
|
Local ready
Direct docking supported
|
|
E3L042573
BDB042573
|
US12459899, Example 138
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CC=C(c4ccccc4F)CC3)cc12
|
C24H22F2N2O2 408.448000 |
HFMJSDBKCCKNJD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784046; PubChem:CID156318953
|
Local ready
Direct docking supported
|
|
E3L042574
BDB042574
|
US12459899, Example 139
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CC=C(c4ccc(F)c(C#N)c4)CC3)cc12
|
C25H21F2N3O2 433.458000 |
ZOXLEZKGFIUVQE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784047; PubChem:CID156318996
|
Local ready
Direct docking supported
|
|
E3L042575
BDB042575
|
US12459899, Example 140
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CC=C(c4ccc(C#N)cn4)CC3)cc12
|
C24H21FN4O2 416.456000 |
POJROZOKSVQHEI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784048; PubChem:CID156318063
|
Local ready
Direct docking supported
|
|
E3L042576
BDB042576
|
US12459899, Example 141
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CC=C(c4ccc(C#N)c(F)c4)CC3)cc12
|
C25H21F2N3O2 433.458000 |
AMSPAEWRCSNXQG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784049; PubChem:CID156317915
|
Local ready
Direct docking supported
|
|
E3L042577
BDB042577
|
US12459899, Example 142
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCN(c4cccc(F)c4)CC3)cc12
|
C23H23F2N3O2 411.452000 |
ANZUEFCGZPGQCE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784050; PubChem:CID156318409
|
Local ready
Direct docking supported
|
|
E3L042578
BDB042578
|
BDBM784051
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCN(c4ccc(F)c(C#N)c4)CC3)cc12
|
C24H22F2N4O2 436.462000 |
BCXFDWRVBIKOBY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784051; PubChem:CID156317977
|
Local ready
Direct docking supported
|
|
E3L042579
BDB042579
|
US12459899, Example 144
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CC=C(c4ccnc(F)c4)CC3)cc12
|
C23H21F2N3O2 409.436000 |
ZXYVXDGCZPOGEZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784052; PubChem:CID156318263
|
Local ready
Direct docking supported
|
|
E3L042580
BDB042580
|
US12459899, Example 145
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CC=C(c4ccc(C#N)nc4)CC3)cc12
|
C24H21FN4O2 416.456000 |
DANPJEKKHWCUGQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784053; PubChem:CID156317962
|
Local ready
Direct docking supported
|