| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042621
BDB042621
|
US12459899, Example 190
O=C(CCc1cc2cccc(F)c2c(=O)[nH]1)N1CCN(C(=O)C2CCCO2)CC1
|
C21H24FN3O4 401.438000 |
NDZULILAUKGJKZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784097; PubChem:CID156318096
|
Local ready
Direct docking supported
|
|
E3L042622
BDB042622
|
US12459899, Example 191
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCN(C(=O)C4CCCO4)CC3)cc12
|
C22H26FN3O4 415.465000 |
QGIWQTVINCXUJM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784098; PubChem:CID156318014
|
Local ready
Direct docking supported
|
|
E3L042623
BDB042623
|
US12459899, Example 192
O=C(CCc1cc2ccc(F)cc2c(=O)[nH]1)N1CCN(C(=O)C2CCCO2)CC1
|
C21H24FN3O4 401.438000 |
UOGNUOOYURLHSD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784099; PubChem:CID156332885
|
Local ready
Direct docking supported
|
|
E3L042624
BDB042624
|
US12459899, Example 193
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CCN(C(=O)C4CCCO4)CC3)cc12
|
C22H26FN3O4 415.465000 |
WAERMDCQOUFSRS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784100; PubChem:CID156317969
|
Local ready
Direct docking supported
|
|
E3L042625
BDB042625
|
BDBM784101
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCN(C(=O)[C@H](C)N)CC3)cc12
|
C20H25FN4O3 388.443000 |
PBHKFDRXWAWHJJ-ZDUSSCGKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784101; PubChem:CID156317988
|
Local ready
Direct docking supported
|
|
E3L042626
BDB042626
|
BDBM784102
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCN(C(=O)[C@@H](N)Cc4ccccc4)CC3)cc12
|
C26H29FN4O3 464.541000 |
NIZHHLYXPOXODT-QFIPXVFZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784102; PubChem:CID156332854
|
Local ready
Direct docking supported
|
|
E3L042627
BDB042627
|
BDBM784103
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCN(C(=O)C4CCCN4)CC3)cc12
|
C22H27FN4O3 414.481000 |
ZRCSSFWCKLMRRQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784103; PubChem:CID156318046
|
Local ready
Direct docking supported
|
|
E3L042628
BDB042628
|
US12459899, Example 197
Cc1ccc(F)c2c(=O)[nH]c(CCCN3C4CCC3CN(c3ccc(C#N)cc3)C4)cc12
|
C26H27FN4O 430.527000 |
JVNZTPTWVBSTBM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784104; PubChem:CID156318842
|
Local ready
Direct docking supported
|
|
E3L042629
BDB042629
|
US12459899, Example 198
Cc1ccc(F)c2c(=O)[nH]c(CCCN3C4CCC3CN(c3ccc(F)cc3)C4)cc12
|
C25H27F2N3O 423.507000 |
ZJJQRQCZPOPMPJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784105; PubChem:CID156318314
|
Local ready
Direct docking supported
|
|
E3L042630
BDB042630
|
US12459899, Example 199
Cc1ccc(F)c2c(=O)[nH]c(CCCN3C4CCC3CN(c3ccc(C#N)cn3)C4)cc12
|
C25H26FN5O 431.515000 |
KBTBTBRTSCYUSR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784106; PubChem:CID156333100
|
Local ready
Direct docking supported
|
|
E3L042631
BDB042631
|
US12459899, Example 201
Cc1ccc(F)c2c(=O)[nH]c(CCCN3C4CCC3CN(c3ccc(Cl)cc3)C4)cc12
|
C25H27ClFN3O 439.962000 |
SWELBGCJGKNNET-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784108; PubChem:CID156318010
|
Local ready
Direct docking supported
|
|
E3L042632
BDB042632
|
US12459899, Example 202
Cc1ccc(F)c2c(=O)[nH]c(CCCN3C4CCC3CN(c3ccc(F)nc3)C4)cc12
|
C24H26F2N4O 424.495000 |
JAEIOYLQHXKLJT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784109; PubChem:CID156318035
|
Local ready
Direct docking supported
|
|
E3L042633
BDB042633
|
US12459899, Example 203
N#Cc1ccc(N2CC3CCC(C2)N3CCCc2cc3cccc(F)c3c(=O)[nH]2)nc1
|
C24H24FN5O 417.488000 |
MVEOMPTUQGJBGB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784110; PubChem:CID156318262
|
Local ready
Direct docking supported
|
|
E3L042634
BDB042634
|
US12459899, Example 204
N#Cc1ccc(N2CC3CCC(C2)N3CCCc2cc3ccc(F)cc3c(=O)[nH]2)nc1
|
C24H24FN5O 417.488000 |
QITQBVHGDLOYOO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784111; PubChem:CID156318023
|
Local ready
Direct docking supported
|
|
E3L042635
BDB042635
|
US12459899, Example 205
Cc1cc(F)cc2c(=O)[nH]c(CCCN3C4CCC3CN(c3ccc(C#N)cn3)C4)cc12
|
C25H26FN5O 431.515000 |
RXGDNIMDJLPROA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784112; PubChem:CID156318107
|
Local ready
Direct docking supported
|
|
E3L042636
BDB042636
|
US12459899, Example 206
N#Cc1ccc(N2CC3CCC(C2)N3C(=O)CCc2cc3cccc(F)c3c(=O)[nH]2)nc1
|
C24H22FN5O2 431.471000 |
BZOFRZYOROREDI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784113; PubChem:CID156318357
|
Local ready
Direct docking supported
|
|
E3L042637
BDB042637
|
US12459899, Example 207
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3C4CCC3CN(c3ccc(C#N)cn3)C4)cc12
|
C25H24FN5O2 445.498000 |
YJRPUDWFAXRFEF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784114; PubChem:CID156318185
|
Local ready
Direct docking supported
|
|
E3L042638
BDB042638
|
US12459899, Example 208
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3C4CCC3CN(c3ccc(F)cc3)C4)cc12
|
C25H25F2N3O2 437.490000 |
KLNDRJUWQLAKFK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784115; PubChem:CID156318180
|
Local ready
Direct docking supported
|
|
E3L042639
BDB042639
|
BDBM784116
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3C4CCC3CN(c3ccc(C#N)cc3)C4)cc12
|
C26H25FN4O2 444.510000 |
PROMKWASLQZVPO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784116; PubChem:CID156318337
|
Local ready
Direct docking supported
|
|
E3L042640
BDB042640
|
US12459899, Example 210
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3C4CCC3CN(c3ccc(Cl)cc3)C4)cc12
|
C25H25ClFN3O2 453.945000 |
JGXFNAULEVDDSD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784117; PubChem:CID156318229
|
Local ready
Direct docking supported
|