| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012201
BDB012201
|
BDBM259545
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](Oc2ccccn2)CC1
|
C23H26N4O3 406.486000 |
PHWWAZGJHKJDLI-QAQDUYKDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259545
|
Local ready
Direct docking supported
|
|
E3L012202
BDB012202
|
BDBM259546
N#Cc1ccccc1O[C@H]1CC[C@H](NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1
|
C25H26N4O3 430.508000 |
BCVWBJPQPDBXMM-WGSAOQKQSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259546
|
Local ready
Direct docking supported
|
|
E3L012203
BDB012203
|
BDBM259547
N#Cc1cccc(O[C@H]2CC[C@H](NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)CC2)c1
|
C25H26N4O3 430.508000 |
ZRQMVNYALKQFAB-WGSAOQKQSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259547
|
Local ready
Direct docking supported
|
|
E3L012204
BDB012204
|
BDBM259548
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](Oc2cccnc2)CC1
|
C23H26N4O3 406.486000 |
NOMOJZWMCUJGHN-QAQDUYKDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259548
|
Local ready
Direct docking supported
|
|
E3L012205
BDB012205
|
BDBM259549
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(N2C(=O)C(F)(F)c3ccccc32)CC1
|
C25H24F2N4O3 466.488000 |
CRPORXNANROVBQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259549; PubChem:CID136253108
|
Local ready
Direct docking supported
|
|
E3L012206
BDB012206
|
BDBM259550
N#Cc1cccc2c1[nH]c(=O)n2C1CCN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1
|
C25H24N6O3 456.506000 |
AFHDZWZQZNOEPI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259550; PubChem:CID136253107
|
Local ready
Direct docking supported
|
|
E3L012207
BDB012207
|
BDBM259551
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](OCc2ccccc2)C1
|
C24H27N3O3 405.498000 |
YZHRVEFGEYGJNZ-OALUTQOASA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259551; PubChem:CID136253105
|
Local ready
Direct docking supported
|
|
E3L012208
BDB012208
|
BDBM259552
N#Cc1cc(O[C@H]2CC[C@H](NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)CC2)ccc1Cl
|
C25H25ClN4O3 464.953000 |
WQGFJZQGDWKRMN-IYARVYRRSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259552
|
Local ready
Direct docking supported
|
|
E3L012209
BDB012209
|
BDBM259553
N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)CC2)cc1Cl
|
C25H25ClN4O3 464.953000 |
FHWNIOZFSDHKSG-IYARVYRRSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259553
|
Local ready
Direct docking supported
|
|
E3L012210
BDB012210
|
BDBM259554
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](Oc2ccccc2)C1
|
C23H25N3O3 391.471000 |
NCXUUENEFPXARM-WMZOPIPTSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259554; PubChem:CID136628928
|
Local ready
Direct docking supported
|
|
E3L012211
BDB012211
|
BDBM259555
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](Oc2cccc(Cl)c2)CC1
|
C24H26ClN3O3 439.943000 |
WYQKLIGAUQKHIE-IYARVYRRSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259555
|
Local ready
Direct docking supported
|
|
E3L012212
BDB012212
|
BDBM259556
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(n2c(=O)[nH]c3c(F)cccc32)CC1
|
C24H24FN5O3 449.486000 |
SRMMCJRPCQBABR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259556; PubChem:CID136253101
|
Local ready
Direct docking supported
|
|
E3L012213
BDB012213
|
BDBM259557
N#Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1
|
C25H24N6O3 456.506000 |
RGSSADMOZOOPCT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259557; PubChem:CID136253100
|
Local ready
Direct docking supported
|
|
E3L012214
BDB012214
|
BDBM259558
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCN(c2nsc3ccccc23)CC1
|
C23H23N5O2S 433.537000 |
RDCQUWQHGNCDQF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259558; PubChem:CID136253099
|
Local ready
Direct docking supported
|
|
E3L012215
BDB012215
|
BDBM259559
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](Oc2ccncc2)CC1
|
C23H26N4O3 406.486000 |
OEHCCJHWIUUHFU-QAQDUYKDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259559
|
Local ready
Direct docking supported
|
|
E3L012216
BDB012216
|
BDBM259560
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCN(c2noc3ccccc23)CC1
|
C23H23N5O3 417.469000 |
JMPCTCLDKNUTHJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259560; PubChem:CID136253097
|
Local ready
Direct docking supported
|
|
E3L012217
BDB012217
|
BDBM259561
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2noc3ccc(F)cc23)CC1
|
C24H23FN4O3 434.471000 |
ASRXCLRFDVRXIO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259561; PubChem:CID136253093
|
Local ready
Direct docking supported
|
|
E3L012218
BDB012218
|
BDBM259564
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(n2nnc3ccccc32)CC1
|
C23H24N6O2 416.485000 |
VNDAUZPOPZSKLR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259564; PubChem:CID136253091
|
Local ready
Direct docking supported
|
|
E3L012219
BDB012219
|
BDBM259565
O=C1Nc2cc(Cl)ccc2C1C1CCN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1
|
C25H25ClN4O3 464.953000 |
NBKVXVGFZZVSGF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259565; PubChem:CID136612479
|
Local ready
Direct docking supported
|
|
E3L012220
BDB012220
|
BDBM259566
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](Oc2ccc(F)cc2)CC1
|
C24H26FN3O3 423.488000 |
ZBQNBDDBQXSUCN-UAPYVXQJSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259566
|
Local ready
Direct docking supported
|