| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051341
BDB051341
|
BDBM50297829
O=c1[nH]c2cc(CN3CCCC3)ccc2n2cccc12
|
C16H17N3O 267.332000 |
ZLYVTQGSZRQZLA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50297829; PubChem:CID24849157
|
Local ready
Direct docking supported
|
|
E3L051342
BDB051342
|
BDBM50297830
CC(C)NCc1ccc2c(c1)[nH]c(=O)c1cccn12
|
C15H17N3O 255.321000 |
DQNADOPSFIWVNE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50297830; PubChem:CID25156005
|
Local ready
Direct docking supported
|
|
E3L051343
BDB051343
|
BDBM50297831
O=c1[nH]c2cc(CNCc3ccccc3)ccc2n2cccc12
|
C19H17N3O 303.365000 |
DDSZVIITYZXMIN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50297831; PubChem:CID25156006
|
Local ready
Direct docking supported
|
|
E3L051344
BDB051344
|
BDBM50297832
O=C1CCCN1Cc1ccc2c(c1)[nH]c(=O)c1cccn12
|
C16H15N3O2 281.315000 |
JCFJQIHDZHHMQT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50297832; PubChem:CID45273796
|
Local ready
Direct docking supported
|
|
E3L051345
BDB051345
|
BDBM50297833
O=c1[nH]c2cc(CNCCN3CCCC3)ccc2n2cccc12
|
C18H22N4O 310.401000 |
XPSAWMZPZSEDQE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50297833; PubChem:CID45272850
|
Local ready
Direct docking supported
|
|
E3L051346
BDB051346
|
BDBM50297834
O=c1[nH]c2cc(CNCCCN3CCOCC3)ccc2n2cccc12
|
C19H24N4O2 340.427000 |
SGHVUJRJNUMGJF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50297834; PubChem:CID45269470
|
Local ready
Direct docking supported
|
|
E3L051347
BDB051347
|
BDBM50297835
O=c1[nH]c2ccc(CNC3CC3)cc2n2cccc12
|
C15H15N3O 253.305000 |
LHTGYYKFWBHLFV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50297835; PubChem:CID25156280
|
Local ready
Direct docking supported
|
|
E3L051348
BDB051348
|
BDBM50297836
O=c1[nH]c2ccc(CN3CCCCC3)cc2n2cccc12
|
C17H19N3O 281.359000 |
UDWQFEJAUMDIKH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50297836; PubChem:CID25156286
|
Local ready
Direct docking supported
|
|
E3L051349
BDB051349
|
BDBM50297837
O=c1[nH]c2ccc(CN3CCCC3)cc2n2cccc12
|
C16H17N3O 267.332000 |
PCWMEZNUFYUIRN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50297837; PubChem:CID25156282
|
Local ready
Direct docking supported
|
|
E3L051350
BDB051350
|
BDBM50297838
O=C(NCc1ccncc1)c1ccc2c(c1)[nH]c(=O)c1cccn12
|
C18H14N4O2 318.336000 |
PJGDESUDTQSVBS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50297838; PubChem:CID45270307
|
Local ready
Direct docking supported
|
|
E3L051351
BDB051351
|
BDBM50297839
O=C(c1ccc2c(c1)[nH]c(=O)c1cccn12)N1CCCC1
|
C16H15N3O2 281.315000 |
QPNABAMQTYQTKY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50297839; PubChem:CID45273804
|
Local ready
Direct docking supported
|
|
E3L051352
BDB051352
|
BDBM50297840
O=C(NCCN1CCCC1)c1ccc2c(c1)[nH]c(=O)c1cccn12
|
C18H20N4O2 324.384000 |
OGRHINVNBNXVNI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50297840; PubChem:CID45268634
|
Local ready
Direct docking supported
|
|
E3L051353
BDB051353
|
BDBM50297841
O=c1[nH]c2cc(CN3CCCC3)ccc2n2ccnc12
|
C15H16N4O 268.320000 |
PCURWXDHDRZERL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50297841; PubChem:CID25156561
|
Local ready
Direct docking supported
|
|
E3L051354
BDB051354
|
BDBM50297842
CN(C)Cc1ccc2c(c1)[nH]c(=O)c1nccn12
|
C13H14N4O 242.282000 |
MDSZPICVOVGTHX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50297842; PubChem:CID45271137
|
Local ready
Direct docking supported
|
|
E3L051355
BDB051355
|
BDBM50297843
CN(C)Cc1ccc2c(c1)CNC(=O)c1cccn1-2
|
C15H17N3O 255.321000 |
BJLWOLJWHSDWAY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50297843; PubChem:CID45272031
|
Local ready
Direct docking supported
|
|
E3L051356
BDB051356
|
BDBM50297844
O=C1NCc2cc(CN3CCCC3)ccc2-n2cccc21
|
C17H19N3O 281.359000 |
WTJAUOXRTBSLBP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50297844; PubChem:CID45271138
|
Local ready
Direct docking supported
|
|
E3L051357
BDB051357
|
BDBM50297845
O=C1Nc2cc(CN3CCCC3)ccc2N2CCCC12
|
C16H21N3O 271.364000 |
BWHGMPCLAXAFFD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50297845; PubChem:CID45272044
|
Local ready
Direct docking supported
|
|
E3L051358
BDB051358
|
BDBM50297846
CN(C)Cc1ccc2c(c1)NC(=O)C1CCCN21
|
C14H19N3O 245.326000 |
GACYULOPBWQXQH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50297846; PubChem:CID45268640
|
Local ready
Direct docking supported
|
|
E3L051359
BDB051359
|
BDBM50297847
O=C1Nc2cc(CN3CCCC3)ccc2N2CCCCC12
|
C17H23N3O 285.391000 |
CFSCMJAXYYFBFU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50297847; PubChem:CID45272045
|
Local ready
Direct docking supported
|
|
E3L051360
BDB051360
|
BDBM50297848
CN(C)Cc1ccc2c(c1)NC(=O)C1CCCCN21
|
C15H21N3O 259.353000 |
BZEFDGXWAUOOOF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50297848; PubChem:CID45271143
|
Local ready
Direct docking supported
|