| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L007941
BDB007941
|
BDBM191143
C[C@H](c1ccccc1)N(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1
|
C30H33FN4O4 532.616000 |
OMOFVXXXQGHNIN-HXUWFJFHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191143; PubChem:CID136237305
|
Local ready
Direct docking supported
|
|
E3L007942
BDB007942
|
BDBM191146
COc1ccc(C(=O)C2CCN(CC(=O)N(Cc3nc4c(c(=O)[nH]3)CCCC4)CC3CC3)CC2)cc1
|
C28H36N4O4 492.620000 |
JAQISDRQXHHOJS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191146; PubChem:CID136237319
|
Local ready
Direct docking supported
|
|
E3L007943
BDB007943
|
BDBM191147
COc1ccc(C(=O)C2CCN(CC(=O)NCc3nc4c(c(=O)[nH]3)CCCC4)CC2)cc1
|
C24H30N4O4 438.528000 |
UTGVEYXWHNPJKF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191147; PubChem:CID136237320
|
Local ready
Direct docking supported
|
|
E3L007944
BDB007944
|
BDBM191148
O=C(CN1CCC(C(=O)c2ccc(F)cc2)CC1)NCc1nc2c(c(=O)[nH]1)CCCC2
|
C23H27FN4O3 426.492000 |
JGQITQIJKWQWRA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191148; PubChem:CID136237332
|
Local ready
Direct docking supported
|
|
E3L007945
BDB007945
|
BDBM191149
COc1ccc(C(=O)C2CCN(CC(=O)NCc3nc4c(c(=O)[nH]3)CCC4)CC2)cc1
|
C23H28N4O4 424.501000 |
GWIUFTNKTNCPNA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191149; PubChem:CID136237333
|
Local ready
Direct docking supported
|
|
E3L007946
BDB007946
|
BDBM191150
COc1ccc(C(=O)C2CCN(CC(=O)NCc3nc(C)c(C)c(=O)[nH]3)CC2)cc1
|
C22H28N4O4 412.490000 |
OQISZWBBYFLJCH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191150; PubChem:CID136237334
|
Local ready
Direct docking supported
|
|
E3L007947
BDB007947
|
BDBM191151
CC(C)(C)CN(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1
|
C27H35FN4O4 498.599000 |
UVLMNDHVIKTALN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191151; PubChem:CID136237336
|
Local ready
Direct docking supported
|
|
E3L007948
BDB007948
|
BDBM191152
O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2ccc(F)cc2)Cc2nc3c(c(=O)[nH]2)COCC3)CC1
|
C29H30F2N4O4 536.579000 |
GNEZFZTYMMBMNW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191152; PubChem:CID136237344
|
Local ready
Direct docking supported
|
|
E3L007949
BDB007949
|
BDBM191153
COc1ccc(CN(Cc2nc3c(c(=O)[nH]2)COCC3)C(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1
|
C30H33FN4O5 548.615000 |
HXVFMRKSTGSLPO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191153; PubChem:CID136237345
|
Local ready
Direct docking supported
|
|
E3L007950
BDB007950
|
BDBM191154
O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)Cc2nc3ccccc3s2)CC1
|
C30H30FN5O4S 575.666000 |
QDPSTTBVXGPQGX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191154; PubChem:CID136237346
|
Local ready
Direct docking supported
|
|
E3L007951
BDB007951
|
BDBM191155
COc1cccc(CN(Cc2nc3c(c(=O)[nH]2)COCC3)C(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)c1
|
C30H33FN4O5 548.615000 |
PXMYCATYKFCEDH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191155; PubChem:CID136237347
|
Local ready
Direct docking supported
|
|
E3L007952
BDB007952
|
BDBM191156
O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2cccc(F)c2)Cc2nc3c(c(=O)[nH]2)COCC3)CC1
|
C29H30F2N4O4 536.579000 |
QIPLEHXSZJJEQF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191156; PubChem:CID136237348
|
Local ready
Direct docking supported
|
|
E3L007953
BDB007953
|
BDBM191159
C[C@@H](c1ccccc1)N(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1
|
C30H33FN4O4 532.616000 |
OMOFVXXXQGHNIN-FQEVSTJZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191159; PubChem:CID136627258
|
Local ready
Direct docking supported
|
|
E3L007954
BDB007954
|
BDBM191160
CC[C@H](C)CN(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1
|
C27H35FN4O4 498.599000 |
DUYFEUQQISPFMM-SFHVURJKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191160; PubChem:CID136237371
|
Local ready
Direct docking supported
|
|
E3L007955
BDB007955
|
BDBM191161
C#CCN(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1
|
C25H27FN4O4 466.513000 |
IKSANVUXVVKHGR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191161; PubChem:CID136237373
|
Local ready
Direct docking supported
|
|
E3L007956
BDB007956
|
BDBM191162
O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)C[C@@H]2CCCO2)CC1
|
C27H33FN4O5 512.582000 |
NEUUVLLFIFUTLB-NRFANRHFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191162; PubChem:CID136237375
|
Local ready
Direct docking supported
|
|
E3L007957
BDB007957
|
BDBM191163
O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)C[C@H]2CCCO2)CC1
|
C27H33FN4O5 512.582000 |
NEUUVLLFIFUTLB-OAQYLSRUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191163; PubChem:CID136237374
|
Local ready
Direct docking supported
|
|
E3L007958
BDB007958
|
BDBM191164
CC[C@H](C)N(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1
|
C26H33FN4O4 484.572000 |
QSAWMHWYVIPNBM-KRWDZBQOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191164; PubChem:CID136237383
|
Local ready
Direct docking supported
|
|
E3L007959
BDB007959
|
BDBM191165
CC[C@@H](C)N(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1
|
C26H33FN4O4 484.572000 |
QSAWMHWYVIPNBM-QGZVFWFLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191165; PubChem:CID136237384
|
Local ready
Direct docking supported
|
|
E3L007960
BDB007960
|
BDBM191166
CC(C)N(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1
|
C25H31FN4O4 470.545000 |
JRZCNDNPOQFSAY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191166; PubChem:CID136237385
|
Local ready
Direct docking supported
|