| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L006061
BDB006061
|
BDBM139639
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCC3(CC1)OCCO3)N2
|
C17H19N5O3 341.371000 |
AFYHJNDSTIFCGW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139639; PubChem:CID135921298
|
Local ready
Direct docking supported
|
|
E3L006062
BDB006062
|
BDBM139640
O=c1[nH]nc2c3c(cccc13)N=C(CNCCc1ccc(Cl)c(Cl)c1)N2
|
C18H15Cl2N5O 388.258000 |
XWKQZZOQJMCBSM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139640; PubChem:CID135921299
|
Local ready
Direct docking supported
|
|
E3L006063
BDB006063
|
BDBM139641
O=c1[nH]nc2c3c(cccc13)N=C(CNCCc1cccc(C(F)(F)F)c1)N2
|
C19H16F3N5O 387.365000 |
WFDGCROCLQCQIN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139641; PubChem:CID135921300
|
Local ready
Direct docking supported
|
|
E3L006064
BDB006064
|
BDBM139642
O=c1[nH]nc2c3c(cccc13)N=C(CNC1CN3CCC1CC3)N2
|
C17H20N6O 324.388000 |
FPIUVQITOGZAML-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139642; PubChem:CID135921301
|
Local ready
Direct docking supported
|
|
E3L006065
BDB006065
|
BDBM139644
CN1CCN(CC2=Nc3cccc4c(=O)[nH]nc(c34)N2)CC1
|
C15H18N6O 298.350000 |
KYPAZHDBXWMJAS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139644; PubChem:CID135921326
|
Local ready
Direct docking supported
|
|
E3L006066
BDB006066
|
BDBM139645
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCCN(Cc3ccccc3)CC1)N2
|
C22H24N6O 388.475000 |
GEFLAESXESXCEG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139645; PubChem:CID135921327
|
Local ready
Direct docking supported
|
|
E3L006067
BDB006067
|
BDBM139646
CC(C)(C)OC(=O)N1CCCN(CC2=Nc3cccc4c(=O)[nH]nc(c34)N2)CC1
|
C20H26N6O3 398.467000 |
JTTLRBNLRMFNRV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139646; PubChem:CID135921328
|
Local ready
Direct docking supported
|
|
E3L006068
BDB006068
|
BDBM139647
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCCN(Cc3ccc(F)cc3)CC1)N2
|
C22H23FN6O 406.465000 |
JKMUKWLDQUOXDF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139647; PubChem:CID135921329
|
Local ready
Direct docking supported
|
|
E3L006069
BDB006069
|
BDBM139648
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCCNCC1)N2
|
C15H18N6O 298.350000 |
IEZSFLLHKVJQPQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139648; PubChem:CID135921330
|
Local ready
Direct docking supported
|
|
E3L006070
BDB006070
|
BDBM139649
O=C(c1ccccc1C(F)(F)F)N1CCCN(CC2=Nc3cccc4c(=O)[nH]nc(c34)N2)CC1
|
C23H21F3N6O2 470.455000 |
HMEPCVZSVIWCBD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139649; PubChem:CID135921331
|
Local ready
Direct docking supported
|
|
E3L006071
BDB006071
|
BDBM139650
O=C(c1cccc(Cl)c1)N1CCCN(CC2=Nc3cccc4c(=O)[nH]nc(c34)N2)CC1
|
C22H21ClN6O2 436.903000 |
NUXDIRYBSBDRSD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139650; PubChem:CID135921349
|
Local ready
Direct docking supported
|
|
E3L006072
BDB006072
|
BDBM139651
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCN(c3ccccn3)CC1)N2
|
C19H19N7O 361.409000 |
WKFCDYTXJLAJAM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139651; PubChem:CID135921350
|
Local ready
Direct docking supported
|
|
E3L006073
BDB006073
|
BDBM139652
O=c1[nH]nc2c3c(cccc13)N=C(CNCCc1ccccc1F)N2
|
C18H16FN5O 337.358000 |
WQUGBUNTWPMVTE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139652; PubChem:CID135921351
|
Local ready
Direct docking supported
|
|
E3L006074
BDB006074
|
BDBM139653
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCN(c3ccc(F)cc3)CC1)N2
|
C20H19FN6O 378.411000 |
ODSUFHUQEPODHD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139653; PubChem:CID135921352
|
Local ready
Direct docking supported
|
|
E3L006075
BDB006075
|
BDBM139655
CC(=O)N1CCCN(CC2=Nc3cccc4c(=O)[nH]nc(c34)N2)CC1
|
C17H20N6O2 340.387000 |
KDHUKUZHONKALN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139655; PubChem:CID135921355
|
Local ready
Direct docking supported
|
|
E3L006076
BDB006076
|
BDBM139656
O=c1[nH]nc2c3c(cccc13)N=C(CNCCc1ccccc1)N2
|
C18H17N5O 319.368000 |
ZFPCIGDKXFZGSI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139656; PubChem:CID135921354
|
Local ready
Direct docking supported
|
|
E3L006077
BDB006077
|
BDBM139657
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCC(c3ccccc3)CC1)N2
|
C21H21N5O 359.433000 |
FVVHMELKDLAXEM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139657; PubChem:CID135921562
|
Local ready
Direct docking supported
|
|
E3L006078
BDB006078
|
2x-121
O=c1[nH]nc2c3c(cccc13)N=C(CN1Cc3ccccc3C1)N2
|
C18H15N5O 317.352000 |
JLFSBHQQXIAQEC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139658; PubChem:CID135565981
|
Local ready
Direct docking supported
|
|
E3L006079
BDB006079
|
BDBM139659
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCCN(S(=O)(=O)c3ccccc3)CC1)N2
|
C21H22N6O3S 438.513000 |
WCQTUVHOMVMRFB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139659; PubChem:CID135921369
|
Local ready
Direct docking supported
|
|
E3L006080
BDB006080
|
BDBM139660
O=c1[nH]nc2c3c(cccc13)N=C(CN1CCN(c3ccncc3)CC1)N2
|
C19H19N7O 361.409000 |
ATJRNDAWXIGMPE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM139660; PubChem:CID135921370
|
Local ready
Direct docking supported
|