| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008981
BDB008981
|
BDBM214051
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)C1CCN1
|
C19H22N4O2 338.411000 |
UVUKTIGEZULZMN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214051; PubChem:CID69048261
|
Local ready
Direct docking supported
|
|
E3L008982
BDB008982
|
BDBM214053
CS(=O)(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C16H19N3O3S 333.413000 |
PXXGTYBRPYKING-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214053; PubChem:CID69045354
|
Local ready
Direct docking supported
|
|
E3L008983
BDB008983
|
BDBM214054
CC(C)S(=O)(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C18H23N3O3S 361.467000 |
NSTHKCKJFCESCB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214054; PubChem:CID69043774
|
Local ready
Direct docking supported
|
|
E3L008984
BDB008984
|
BDBM214055
O=c1[nH]nc(Cc2cccc(NS(=O)(=O)c3ccccc3)c2)c2c1CCCC2
|
C21H21N3O3S 395.484000 |
XDTOAXIGUBPQSV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214055; PubChem:CID69047367
|
Local ready
Direct docking supported
|
|
E3L008985
BDB008985
|
BDBM214056
O=c1[nH]nc(Cc2cccc(NS(=O)(=O)c3cccnc3)c2)c2c1CCCC2
|
C20H20N4O3S 396.472000 |
KLADHWUWXYKHKB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214056; PubChem:CID69045700
|
Local ready
Direct docking supported
|
|
E3L008986
BDB008986
|
BDBM214057
O=c1[nH]nc(Cc2cccc(NS(=O)(=O)c3ccco3)c2)c2c1CCCC2
|
C19H19N3O4S 385.445000 |
PMSRXBPGXVMQMN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214057; PubChem:CID69045359
|
Local ready
Direct docking supported
|
|
E3L008987
BDB008987
|
BDBM214058
Cn1cnc(S(=O)(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1
|
C19H21N5O3S 399.476000 |
AEZBDHFZZAYHSQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214058; PubChem:CID69309772
|
Local ready
Direct docking supported
|
|
E3L008988
BDB008988
|
BDBM214059
O=c1[nH]nc(Cc2cccc(NS(=O)(=O)c3cccs3)c2)c2c1CCCC2
|
C19H19N3O3S2 401.513000 |
LKKNVWLHMOBROQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214059; PubChem:CID69044991
|
Local ready
Direct docking supported
|
|
E3L008989
BDB008989
|
BDBM214060
N#Cc1ccc(S(=O)(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C22H20N4O3S 420.494000 |
QYSNDVLURPUKSS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214060; PubChem:CID69044359
|
Local ready
Direct docking supported
|
|
E3L008990
BDB008990
|
BDBM214061
O=c1[nH]nc(Cc2cccc(NS(=O)(=O)c3cccc4ccccc34)c2)c2c1CCCC2
|
C25H23N3O3S 445.544000 |
HPIATLPLPMAHIW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214061; PubChem:CID69045002
|
Local ready
Direct docking supported
|
|
E3L008991
BDB008991
|
BDBM214062
O=c1[nH]nc(Cc2cccc(Br)n2)c2c1CCCC2
|
C14H14BrN3O 320.190000 |
VMWQNDNYWJCXMW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214062; PubChem:CID87669369
|
Local ready
Direct docking supported
|
|
E3L008992
BDB008992
|
BDBM214063
O=C1CCCN1c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)n1
|
C18H20N4O2 324.384000 |
HRYNTTXVMCLABE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214063; PubChem:CID69045599
|
Local ready
Direct docking supported
|
|
E3L008993
BDB008993
|
BDBM214064
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)n1)c1ccccc1
|
C21H20N4O2 360.417000 |
YHVCLADWMFBQMX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214064; PubChem:CID69046596
|
Local ready
Direct docking supported
|
|
E3L008994
BDB008994
|
BDBM214065
CC(C)NCc1cccc(-c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1
|
C25H29N3O 387.527000 |
CKYXXCUUXLEPFD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214065; PubChem:CID69043350
|
Local ready
Direct docking supported
|
|
E3L008995
BDB008995
|
BDBM214066
O=c1[nH]nc(Cc2cccc(-c3cccc(CNC4CCCC4)c3)c2)c2c1CCCC2
|
C27H31N3O 413.565000 |
NXKOUGYZNIACHY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214066; PubChem:CID69042855
|
Local ready
Direct docking supported
|
|
E3L008996
BDB008996
|
BDBM214067
CC1CCCN1Cc1cccc(-c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1
|
C27H31N3O 413.565000 |
NUQZSHIWVKTEKO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214067; PubChem:CID69090639
|
Local ready
Direct docking supported
|
|
E3L008997
BDB008997
|
BDBM214068
O=c1[nH]nc(Cc2cccc(-c3cccc(CNC4CC4)c3)c2)c2c1CCCC2
|
C25H27N3O 385.511000 |
OIEKOBCDJRXKMU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214068; PubChem:CID69043377
|
Local ready
Direct docking supported
|
|
E3L008998
BDB008998
|
BDBM214069
O=c1[nH]nc(Cc2cccc(-c3cccc(CNC4CCC4)c3)c2)c2c1CCCC2
|
C26H29N3O 399.538000 |
BUOKKPPRZYYCCG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214069; PubChem:CID69047458
|
Local ready
Direct docking supported
|
|
E3L008999
BDB008999
|
BDBM214070
O=c1[nH]nc(Cc2cc[n+]([O-])c(Br)c2)c2c1CCCC2
|
C14H14BrN3O2 336.189000 |
QOUIIVYXKIEZKL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214070; PubChem:CID87669447
|
Local ready
Direct docking supported
|
|
E3L009000
BDB009000
|
BDBM214071
O=C1CCCN1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)cc[n+]1[O-]
|
C18H20N4O3 340.383000 |
QNKHQBHJRYXMPG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214071; PubChem:CID69045340
|
Local ready
Direct docking supported
|