| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042641
BDB042641
|
US12459899, Example 211
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3C4CCC3CN(c3ccc(F)nc3)C4)cc12
|
C24H24F2N4O2 438.478000 |
LROQYPDFRRGLDQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784118; PubChem:CID156318077
|
Local ready
Direct docking supported
|
|
E3L042642
BDB042642
|
US12459899, Example 212
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3C4CCC3CN(c3ccc(F)cn3)C4)cc12
|
C24H24F2N4O2 438.478000 |
WHPRAMFSTAJACW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784119; PubChem:CID156319134
|
Local ready
Direct docking supported
|
|
E3L042643
BDB042643
|
US12459899, Example 213
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3C4CCC3CN(c3ccc(C#N)cc3)C4)cc12
|
C26H25FN4O2 444.510000 |
JQFXUCLFLZPLHD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784120; PubChem:CID156318138
|
Local ready
Direct docking supported
|
|
E3L042644
BDB042644
|
BDBM784121
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3C4CCC3CN(c3ccc(C#N)cn3)C4)cc12
|
C25H24FN5O2 445.498000 |
PXCIUFJWJZUADG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784121; PubChem:CID156318139
|
Local ready
Direct docking supported
|
|
E3L042645
BDB042645
|
US12459899, Example 215
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3C4CCC3CN(c3ccc(F)cc3)C4)cc12
|
C25H25F2N3O2 437.490000 |
DYOVLLIONVLKCU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784122; PubChem:CID156317946
|
Local ready
Direct docking supported
|
|
E3L042646
BDB042646
|
US12459899, Example 216
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3C4CCC3CN(c3ccc(Cl)cc3)C4)cc12
|
C25H25ClFN3O2 453.945000 |
PSAAKOWVLBZAAB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784123; PubChem:CID156318283
|
Local ready
Direct docking supported
|
|
E3L042647
BDB042647
|
US12459899, Example 217
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3C4CCC3CN(c3ccc(F)nc3)C4)cc12
|
C24H24F2N4O2 438.478000 |
ZMNDVQXLEMDGJG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784124; PubChem:CID156318044
|
Local ready
Direct docking supported
|
|
E3L042648
BDB042648
|
BDBM784125
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3C4CCC3CN(c3ccc(C#N)cn3)C4)cc12
|
C25H24FN5O2 445.498000 |
PXCIUFJWJZUADG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784125; PubChem:CID156318139
|
Local ready
Direct docking supported
|
|
E3L042649
BDB042649
|
US12459899, Example 219
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3C4CCC3CN(c3ccc(F)cn3)C4)cc12
|
C24H24F2N4O2 438.478000 |
VNHXJSJVBRHWGD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784126; PubChem:CID156318258
|
Local ready
Direct docking supported
|
|
E3L042650
BDB042650
|
US12459899, Example 220
N#Cc1ccc(N2CC3CCC(C2)N3C(=O)CCc2cc3ccc(F)cc3c(=O)[nH]2)nc1
|
C24H22FN5O2 431.471000 |
VPMJMHGKUMAJCZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784127; PubChem:CID156318116
|
Local ready
Direct docking supported
|
|
E3L042651
BDB042651
|
US12459899, Example 221
N#Cc1ccc(N2CCN(CCCc3cc4ncccc4c(=O)[nH]3)CC2)cc1
|
C22H23N5O 373.460000 |
JRLVPNRXUBBHIE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784128; PubChem:CID156318310
|
Local ready
Direct docking supported
|
|
E3L042652
BDB042652
|
US12459899, Example 222
N#Cc1ccc(N2CCN(CCCc3cc4ncccc4c(=O)[nH]3)CC2)nc1
|
C21H22N6O 374.448000 |
DBJVWBXMILIGCA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784129; PubChem:CID156317939
|
Local ready
Direct docking supported
|
|
E3L042653
BDB042653
|
US12459899, Example 223
O=c1[nH]c(CCCN2CCN(c3ccc(F)cc3)CC2)cc2ncccc12
|
C21H23FN4O 366.440000 |
AJKZXDMIIUMOAJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784130; PubChem:CID156332861
|
Local ready
Direct docking supported
|
|
E3L042654
BDB042654
|
US12459899, Example 224
O=c1[nH]c(CCCN2CCN(c3cccc(F)c3)CC2)cc2ncccc12
|
C21H23FN4O 366.440000 |
ZWEYFIKSRSPVDX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784131; PubChem:CID156318076
|
Local ready
Direct docking supported
|
|
E3L042655
BDB042655
|
US12459899, Example 225
N#Cc1ccc(N2CC3CCC(C2)N3CCCc2cc3ncccc3c(=O)[nH]2)cc1
|
C24H25N5O 399.498000 |
GYOYVAJTMPKWSF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784132; PubChem:CID156317964
|
Local ready
Direct docking supported
|
|
E3L042656
BDB042656
|
US12459899, Example 226
N#Cc1ccc(N2CCN(CCCc3cc4ncccc4c(=O)[nH]3)CC2)cn1
|
C21H22N6O 374.448000 |
LLCQTOBWIFDJIW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784133; PubChem:CID156318002
|
Local ready
Direct docking supported
|
|
E3L042657
BDB042657
|
US12459899, Example 227
O=c1[nH]c(CCCN2CCN(c3ccnc(F)c3)CC2)cc2ncccc12
|
C20H22FN5O 367.428000 |
HWCQDTSDELPKAO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784134; PubChem:CID156318339
|
Local ready
Direct docking supported
|
|
E3L042658
BDB042658
|
US12459899, Example 228
O=c1[nH]c(CCCN2C3CCC2CN(c2ccc(Cl)cc2)C3)cc2ncccc12
|
C23H25ClN4O 408.933000 |
RSXRIVCBDKHHGF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784135; PubChem:CID156317973
|
Local ready
Direct docking supported
|
|
E3L042659
BDB042659
|
US12459899, Example 229
N#Cc1ccc(N2CC3CCC(C2)N3CCCc2cc3ncccc3c(=O)[nH]2)cn1
|
C23H24N6O 400.486000 |
LOPMRXYFBWTPFL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784136; PubChem:CID156317992
|
Local ready
Direct docking supported
|
|
E3L042660
BDB042660
|
US12459899, Example 230
O=c1[nH]c(CCCN2C3CCC2CN(c2ccc(F)cc2)C3)cc2ncccc12
|
C23H25FN4O 392.478000 |
ULPROGUWPNLZFO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784137; PubChem:CID156333014
|
Local ready
Direct docking supported
|