| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L005581
BDB005581
|
BDBM130123
CN(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C15H19N3O 257.337000 |
DPEFFOCZJHAPHI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130123; PubChem:CID58424949
|
Local ready
Direct docking supported
|
|
E3L005582
BDB005582
|
BDBM130124
CCN(CC)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C17H23N3O 285.391000 |
YFXUOXSTKUDUNY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130124; PubChem:CID58425004
|
Local ready
Direct docking supported
|
|
E3L005583
BDB005583
|
BDBM130125
CCNCc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C15H19N3O 257.337000 |
AUXVOQHMMUBMSD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130125; PubChem:CID67381027
|
Local ready
Direct docking supported
|
|
E3L005584
BDB005584
|
BDBM130126
O=c1[nH]c2cc(CN3CCCC3)ccc2c2c1CCCN2
|
C17H21N3O 283.375000 |
UKEYGRHQVLCOHV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130126; PubChem:CID58424964
|
Local ready
Direct docking supported
|
|
E3L005585
BDB005585
|
BDBM130127
CC(C)NCc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C16H21N3O 271.364000 |
ZHBVSWVLEZQHDM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130127; PubChem:CID67380951
|
Local ready
Direct docking supported
|
|
E3L005586
BDB005586
|
BDBM130128
CCCNCc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C16H21N3O 271.364000 |
FPSICTPJXMCUAD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130128; PubChem:CID67381141
|
Local ready
Direct docking supported
|
|
E3L005587
BDB005587
|
BDBM130129
CCN(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C16H21N3O 271.364000 |
ACZHHIUQVSTQHZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130129; PubChem:CID58424975
|
Local ready
Direct docking supported
|
|
E3L005588
BDB005588
|
BDBM130130
O=c1[nH]c2cc(CN3CCCCC3)ccc2c2c1CCCN2
|
C18H23N3O 297.402000 |
SBEAUKVVGMSIBV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130130; PubChem:CID58425023
|
Local ready
Direct docking supported
|
|
E3L005589
BDB005589
|
BDBM130131
O=c1[nH]c2cc(CN3CCOCC3)ccc2c2c1CCCN2
|
C17H21N3O2 299.374000 |
NXJDCLSFBPAVEY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130131; PubChem:CID58424948
|
Local ready
Direct docking supported
|
|
E3L005590
BDB005590
|
BDBM130132
CN(C)Cc1ccc2[nH]c(=O)c3c(c2c1)NCCC3
|
C15H19N3O 257.337000 |
WPLGBVGNCXWPKA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130132; PubChem:CID58424871
|
Local ready
Direct docking supported
|
|
E3L005591
BDB005591
|
BDBM130133
CN(Cc1ccccc1)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C21H23N3O 333.435000 |
QNILRULQYXFJMQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130133; PubChem:CID58424893
|
Local ready
Direct docking supported
|
|
E3L005592
BDB005592
|
BDBM130134
CNCc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C14H17N3O 243.310000 |
RHOLPLQWTZOOCN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130134; PubChem:CID67381491
|
Local ready
Direct docking supported
|
|
E3L005593
BDB005593
|
BDBM130135
CN(CCO)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C16H21N3O2 287.363000 |
HVOTZQSSXFYHNJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130135; PubChem:CID58424918
|
Local ready
Direct docking supported
|
|
E3L005594
BDB005594
|
BDBM130136
CN(C)CCN(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C18H26N4O 314.433000 |
VSGKNTSTRZTFNN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130136; PubChem:CID58424862
|
Local ready
Direct docking supported
|
|
E3L005595
BDB005595
|
BDBM130137
CN1CCN(Cc2ccc3c4c(c(=O)[nH]c3c2)CCCN4)CC1
|
C18H24N4O 312.417000 |
NPLHIRBOIYUBNQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130137; PubChem:CID58425011
|
Local ready
Direct docking supported
|
|
E3L005596
BDB005596
|
BDBM130138
CCCN(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C17H23N3O 285.391000 |
VUZSDNRYBLPBFC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130138; PubChem:CID58424920
|
Local ready
Direct docking supported
|
|
E3L005597
BDB005597
|
BDBM130139
CCOC(=O)CCN(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C19H25N3O3 343.427000 |
LJYZXJGMLFHEIR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130139; PubChem:CID58424945
|
Local ready
Direct docking supported
|
|
E3L005598
BDB005598
|
BDBM130140
CN(CCC(=O)O)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C17H21N3O3 315.373000 |
XWZVFZUSRYAYJC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130140; PubChem:CID58425016
|
Local ready
Direct docking supported
|
|
E3L005599
BDB005599
|
BDBM130141
CC(C)N(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C17H23N3O 285.391000 |
BDUYHHKYVSSNJH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130141; PubChem:CID58425018
|
Local ready
Direct docking supported
|
|
E3L005600
BDB005600
|
BDBM130142
COCCN(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C17H23N3O2 301.390000 |
CUGDLTVQEUFUKC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130142; PubChem:CID58424898
|
Local ready
Direct docking supported
|