| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012161
BDB012161
|
BDBM259498
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2nnc(-c3ccccc3)s2)CC1
|
C25H25N5O2S 459.575000 |
OKYYDJHOIYUWSW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259498; PubChem:CID136628915
|
Local ready
Direct docking supported
|
|
E3L012162
BDB012162
|
BDBM259500
Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1
|
C25H27N5O3 445.523000 |
WDAVNQKSHQVPKD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259500; PubChem:CID136628919
|
Local ready
Direct docking supported
|
|
E3L012163
BDB012163
|
BDBM259501
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2nnc(-c3ccccn3)o2)CC1
|
C24H24N6O3 444.495000 |
JVUGYXTVNFUHII-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259501; PubChem:CID136628932
|
Local ready
Direct docking supported
|
|
E3L012164
BDB012164
|
BDBM259502
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2nnc(-c3cccnc3)o2)CC1
|
C24H24N6O3 444.495000 |
YEMNITGJNFFITC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259502; PubChem:CID136628941
|
Local ready
Direct docking supported
|
|
E3L012165
BDB012165
|
BDBM259503
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2nnc(-c3cnccn3)o2)CC1
|
C23H23N7O3 445.483000 |
OUWQQYPQZGBQTQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259503; PubChem:CID136628939
|
Local ready
Direct docking supported
|
|
E3L012166
BDB012166
|
BDBM259504
COc1ccc(-c2nnc(C3CCN(C(=O)CCCc4nc5ccccc5c(=O)[nH]4)CC3)o2)cc1
|
C26H27N5O4 473.533000 |
PSUPASCETWCMMJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259504; PubChem:CID136628938
|
Local ready
Direct docking supported
|
|
E3L012167
BDB012167
|
BDBM259505
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2nnc(-c3ccccc3Cl)o2)CC1
|
C25H24ClN5O3 477.952000 |
GAIPKACDULOVTC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259505; PubChem:CID136628909
|
Local ready
Direct docking supported
|
|
E3L012168
BDB012168
|
BDBM259506
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2nnc(COc3ccc(Cl)cc3)o2)CC1
|
C26H26ClN5O4 507.978000 |
WXBLUJQGIFPHFK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259506; PubChem:CID136628940
|
Local ready
Direct docking supported
|
|
E3L012169
BDB012169
|
BDBM259507
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2nnc(-c3ccccc3F)o2)CC1
|
C25H24FN5O3 461.497000 |
IZQZQDAOIAJQGM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259507; PubChem:CID136628918
|
Local ready
Direct docking supported
|
|
E3L012170
BDB012170
|
BDBM259508
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2nnc(-c3ccncc3)o2)CC1
|
C24H24N6O3 444.495000 |
KVVODYVRKLLEIQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259508; PubChem:CID136628959
|
Local ready
Direct docking supported
|
|
E3L012171
BDB012171
|
BDBM259509
N#Cc1cccc(-c2nnc(C3CCN(C(=O)CCCc4nc5ccccc5c(=O)[nH]4)CC3)o2)c1
|
C26H24N6O3 468.517000 |
VWKAKGXPHIJGPD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259509; PubChem:CID136628931
|
Local ready
Direct docking supported
|
|
E3L012172
BDB012172
|
BDBM259510
N#Cc1ccc(-c2nnc(C3CCN(C(=O)CCCc4nc5ccccc5c(=O)[nH]4)CC3)o2)cc1
|
C26H24N6O3 468.517000 |
KBKQSDRVJSIUST-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259510; PubChem:CID136628942
|
Local ready
Direct docking supported
|
|
E3L012173
BDB012173
|
BDBM259511
Cc1cccc(-c2nnc(C3CCN(C(=O)CCCc4nc5ccccc5c(=O)[nH]4)CC3)o2)c1
|
C26H27N5O3 457.534000 |
QWQWNLQBJNFADI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259511; PubChem:CID136628936
|
Local ready
Direct docking supported
|
|
E3L012174
BDB012174
|
BDBM259512
Cc1ccc(-c2nnc(C3CCN(C(=O)CCCc4nc5ccccc5c(=O)[nH]4)CC3)o2)cc1
|
C26H27N5O3 457.534000 |
NNQPXWGOYRBSTO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259512; PubChem:CID136628968
|
Local ready
Direct docking supported
|
|
E3L012175
BDB012175
|
BDBM259513
COc1cccc(-c2nnc(C3CCN(C(=O)CCCc4nc5ccccc5c(=O)[nH]4)CC3)o2)c1
|
C26H27N5O4 473.533000 |
ZKOSRIBDKQNGTM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259513; PubChem:CID136628964
|
Local ready
Direct docking supported
|
|
E3L012176
BDB012176
|
BDBM259514
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2nnc(-c3ccc(F)c(Cl)c3)o2)CC1
|
C25H23ClFN5O3 495.942000 |
XIFIENIKEZUQQD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259514; PubChem:CID136628944
|
Local ready
Direct docking supported
|
|
E3L012177
BDB012177
|
BDBM259515
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(n2c(=O)[nH]c3cccnc32)CC1
|
C23H24N6O3 432.484000 |
HBJBOCIRHMWTFT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259515; PubChem:CID136628952
|
Local ready
Direct docking supported
|
|
E3L012178
BDB012178
|
BDBM259516
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1
|
C24H24ClN5O3 465.941000 |
CADYSKUZMAIDBU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259516; PubChem:CID136628916
|
Local ready
Direct docking supported
|
|
E3L012179
BDB012179
|
BDBM259518
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](c2nnc(-c3ccc(Cl)cc3)o2)CC1
|
C26H26ClN5O3 491.979000 |
NLHWNHOBNJGSMX-UAPYVXQJSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259518
|
Local ready
Direct docking supported
|
|
E3L012180
BDB012180
|
BDBM259519
COc1ccc(-c2nnc([C@H]3CC[C@H](NC(=O)CCCc4nc5ccccc5c(=O)[nH]4)CC3)o2)cc1
|
C27H29N5O4 487.560000 |
MONJJZAAKCCXFC-UAPYVXQJSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259519
|
Local ready
Direct docking supported
|