| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042441
BDB042441
|
US12459899, Example 48
O=c1[nH]c(CCCN2CC=C(c3ccc(F)cc3)CC2)cc2ccc(F)cc12
|
C23H22F2N2O 380.438000 |
ZVPDWPLKYKKUOF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783830; PubChem:CID156318324
|
Local ready
Direct docking supported
|
|
E3L042442
BDB042442
|
US12459899, Example 49
O=c1[nH]c(CCCN2CC=C(c3ccc(Cl)cc3)CC2)cc2ccc(F)cc12
|
C23H22ClFN2O 396.893000 |
OXXJYRUADZBDNH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783831; PubChem:CID156318286
|
Local ready
Direct docking supported
|
|
E3L042443
BDB042443
|
US12459899, Example 50
N#Cc1ccc(C2=CCN(CCCc3cc4ccc(F)cc4c(=O)[nH]3)CC2)nc1
|
C23H21FN4O 388.446000 |
DHZGVKBKLYCQEX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783832; PubChem:CID156318864
|
Local ready
Direct docking supported
|
|
E3L042444
BDB042444
|
US12459899, Example 54
Cc1ccc(F)c2c(=O)[nH]c(CCCN3CC=C(c4ccc(C#N)cc4)CC3)cc12
|
C25H24FN3O 401.485000 |
FUVRTDJKNFDMMB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783833; PubChem:CID156318009
|
Local ready
Direct docking supported
|
|
E3L042445
BDB042445
|
US12459899, Example 55
Cc1ccc(F)c2c(=O)[nH]c(CCCN3CC=C(c4ccc(C#N)c(F)c4)CC3)cc12
|
C25H23F2N3O 419.475000 |
HPFUGEXPCSFRQN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783834; PubChem:CID156318086
|
Local ready
Direct docking supported
|
|
E3L042446
BDB042446
|
US12459899, Example 57
Cc1ccc(F)c2c(=O)[nH]c(CCCN3CC=C(c4ccc(C#N)cn4)CC3)cc12
|
C24H23FN4O 402.473000 |
SEEPECNGLFONMJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783835; PubChem:CID156317926
|
Local ready
Direct docking supported
|
|
E3L042447
BDB042447
|
US12459899, Example 58
Cc1cc(F)cc2c(=O)[nH]c(CCCN3CC=C(c4ccc(C#N)cc4)CC3)cc12
|
C25H24FN3O 401.485000 |
YIJRJGWIILVSSV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783836; PubChem:CID156317930
|
Local ready
Direct docking supported
|
|
E3L042448
BDB042448
|
US12459899, Example 68
N#Cc1ccc(N2CCN(C(=O)CCc3cc4cccc(F)c4c(=O)[nH]3)CC2)cc1
|
C23H21FN4O2 404.445000 |
ZJHDLWVHBHRWQQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783837; PubChem:CID156318846
|
Local ready
Direct docking supported
|
|
E3L042449
BDB042449
|
US12459899, Example 99
N#Cc1ccc(N2CCN(C(=O)CCc3cc4ccc(F)cc4c(=O)[nH]3)CC2)nc1
|
C22H20FN5O2 405.433000 |
MKCWQHJJQXJWJA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783838; PubChem:CID156318117
|
Local ready
Direct docking supported
|
|
E3L042450
BDB042450
|
US12459899, Example 103
O=C(CCc1cc2ccc(F)cc2c(=O)[nH]1)N1CC=C(c2ccc(F)cn2)CC1
|
C22H19F2N3O2 395.409000 |
MYJAPODYOADMAI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783839; PubChem:CID156318058
|
Local ready
Direct docking supported
|
|
E3L042451
BDB042451
|
US12459899, Example 128
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)cc12
|
C24H22F2N4O2 436.462000 |
FRUHPZQILCTNIN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783840; PubChem:CID156317907
|
Local ready
Direct docking supported
|
|
E3L042452
BDB042452
|
US12459899, Example 151
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc12
|
C23H22FN5O2 419.460000 |
JCNXXMCTTJGXDU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783841; PubChem:CID156317976
|
Local ready
Direct docking supported
|
|
E3L042453
BDB042453
|
US12459899, Example 152
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc12
|
C23H22FN5O2 419.460000 |
ISVJIXDWDNXXNN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783842; PubChem:CID156332857
|
Local ready
Direct docking supported
|
|
E3L042454
BDB042454
|
US12459899, Example 183
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCN(C(=O)C4CC4)CC3)cc12
|
C21H24FN3O3 385.439000 |
YNXDEIPARLBLSX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783843; PubChem:CID156318059
|
Local ready
Direct docking supported
|
|
E3L042455
BDB042455
|
US12459899, Example 200
Cc1ccc(F)c2c(=O)[nH]c(CCCN3C4CCC3CN(c3ccc(C#N)nc3)C4)cc12
|
C25H26FN5O 431.515000 |
INQWMEGYOQVQDQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783844; PubChem:CID156317966
|
Local ready
Direct docking supported
|
|
E3L042456
BDB042456
|
US12459899, Example 241
N#Cc1ccc(N2CCN(C(=O)CCc3cc4ncccc4c(=O)[nH]3)CC2)cc1
|
C22H21N5O2 387.443000 |
XWIZZOBBIQOZDL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783845; PubChem:CID156317978
|
Local ready
Direct docking supported
|
|
E3L042457
BDB042457
|
US12459899, Example 242
N#Cc1ccc(N2CCN(C(=O)CCc3cc4ncccc4c(=O)[nH]3)CC2)nc1
|
C21H20N6O2 388.431000 |
FLDGMZDBTWDQMN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783846; PubChem:CID156318047
|
Local ready
Direct docking supported
|
|
E3L042458
BDB042458
|
US12459899, Example 268
COC(=O)c1ccc(NC2CCN(C(=O)CCc3cc4c(C)ccc(F)c4c(=O)[nH]3)CC2)cc1
|
C26H28FN3O4 465.525000 |
JQLWWKFFMNPWFG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783847; PubChem:CID156318284
|
Local ready
Direct docking supported
|
|
E3L042459
BDB042459
|
US12459899, Example 272
O=c1[nH]c(CCCN2C3CCC2CC(O)C3)cc2cccc(F)c12
|
C19H23FN2O2 330.403000 |
JQYXLOTUIILSTG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783848; PubChem:CID156318700
|
Local ready
Direct docking supported
|
|
E3L042460
BDB042460
|
US12459899, Example 2
N#Cc1ccc(N2CCN(CCCc3cc4cccc(F)c4c(=O)[nH]3)CC2)cn1
|
C22H22FN5O 391.450000 |
LAZSNVLLNHJJKV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783891; PubChem:CID156318807
|
Local ready
Direct docking supported
|