| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051641
BDB051641
|
BDBM50306247
COc1ccccc1CC(=O)N1CCc2cccc3c2C1CNC3=O
|
C20H20N2O3 336.391000 |
BAXKWKQFMJVMKI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306247; PubChem:CID46226424
|
Local ready
Direct docking supported
|
|
E3L051642
BDB051642
|
BDBM50306248
O=C1NCC2c3c(cccc31)CCN2C(=O)Cc1ccc(Br)cc1
|
C19H17BrN2O2 385.261000 |
PVEJMVVRBFYQAK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306248; PubChem:CID24772646
|
Local ready
Direct docking supported
|
|
E3L051643
BDB051643
|
BDBM50306249
O=C1NCC2c3c(cccc31)CCN2C(=O)Cc1ccc(OCc2ccccc2)cc1
|
C26H24N2O3 412.489000 |
RBPSUSGZEBUPLW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306249; PubChem:CID24772010
|
Local ready
Direct docking supported
|
|
E3L051644
BDB051644
|
BDBM50306250
N#Cc1ccc(CC(=O)N2CCc3cccc4c3C2CNC4=O)cc1
|
C20H17N3O2 331.375000 |
BFDSPWGICSDYBD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306250; PubChem:CID24772009
|
Local ready
Direct docking supported
|
|
E3L051645
BDB051645
|
BDBM50306251
O=C1NCC2c3c(cccc31)CCN2C(=O)Cc1ccccn1
|
C18H17N3O2 307.353000 |
MKLQBCOPDOCXHS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306251; PubChem:CID46226065
|
Local ready
Direct docking supported
|
|
E3L051646
BDB051646
|
BDBM50306252
O=C1NCC2c3c(cccc31)CCN2C(=O)Cc1ccncc1
|
C18H17N3O2 307.353000 |
CBCKZQJVGZGJSZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306252; PubChem:CID24771898
|
Local ready
Direct docking supported
|
|
E3L051647
BDB051647
|
BDBM50306253
O=C1NCC2c3c(cccc31)CCN2C(=O)Cc1cccnc1
|
C18H17N3O2 307.353000 |
AOLFJVDCFAXDOZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306253; PubChem:CID24772834
|
Local ready
Direct docking supported
|
|
E3L051648
BDB051648
|
BDBM50306254
Cc1csc(CC(=O)N2CCc3cccc4c3C2CNC4=O)n1
|
C17H17N3O2S 327.409000 |
BIEHYKHVCMIZHI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306254; PubChem:CID24771956
|
Local ready
Direct docking supported
|
|
E3L051649
BDB051649
|
BDBM50306255
Cc1c(CC(=O)N2CCc3cccc4c3C2CNC4=O)sc2ccccc12
|
C22H20N2O2S 376.481000 |
APLPMDTYLNNONS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306255; PubChem:CID24772828
|
Local ready
Direct docking supported
|
|
E3L051650
BDB051650
|
BDBM50306256
O=C1NCC2c3c(cccc31)CCN2C(=O)CCc1cnccn1
|
C18H18N4O2 322.368000 |
GFHLWWHOLUWZLZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306256; PubChem:CID24772013
|
Local ready
Direct docking supported
|
|
E3L051651
BDB051651
|
BDBM50306257
O=C1NCC2c3c(cccc31)CCN2C(=O)CCn1cnc2ccccc21
|
C21H20N4O2 360.417000 |
FGLHZNPVUKEYLX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306257; PubChem:CID24771955
|
Local ready
Direct docking supported
|
|
E3L051652
BDB051652
|
BDBM50306258
Cn1cc(CCC(=O)N2CCc3cccc4c3C2CNC4=O)cn1
|
C18H20N4O2 324.384000 |
SBMIMFRSDNEULS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306258; PubChem:CID24772069
|
Local ready
Direct docking supported
|
|
E3L051653
BDB051653
|
BDBM50306259
O=C1NCC2c3c(cccc31)CCN2C(=O)C1CCCC1
|
C17H20N2O2 284.359000 |
KFIKZIDBFSBPOB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306259; PubChem:CID46226100
|
Local ready
Direct docking supported
|
|
E3L051654
BDB051654
|
BDBM50306260
O=C1NCC2c3c(cccc31)CCN2C(=O)[C@@H]1CCCN1
|
C16H19N3O2 285.347000 |
CHASFUKBGGUFKP-UEWDXFNNSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306260; PubChem:CID46226101
|
Local ready
Direct docking supported
|
|
E3L051655
BDB051655
|
BDBM50306261
CC(=O)N1CCC[C@H]1C(=O)N1CCc2cccc3c2C1CNC3=O
|
C18H21N3O3 327.384000 |
HKPNOYFEQNVNLD-MLCCFXAWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306261; PubChem:CID46226102
|
Local ready
Direct docking supported
|
|
E3L051656
BDB051656
|
BDBM50306262
O=C1NCC2c3c(cccc31)CCN2C(=O)C1CCNC1
|
C16H19N3O2 285.347000 |
RTGWVCMGSSYDLE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306262; PubChem:CID24771959
|
Local ready
Direct docking supported
|
|
E3L051657
BDB051657
|
BDBM50306263
O=C1NCC2c3c(cccc31)CCN2C(=O)C1CNC1
|
C15H17N3O2 271.320000 |
GNEVMDATFXPSDM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306263; PubChem:CID24772008
|
Local ready
Direct docking supported
|
|
E3L051658
BDB051658
|
BDBM50306264
O=C1NCC2c3c(cccc31)CCN2C(=O)CN1CCCCC1
|
C18H23N3O2 313.401000 |
DJCHWVDAPJYQPQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306264; PubChem:CID24771905
|
Local ready
Direct docking supported
|
|
E3L051659
BDB051659
|
BDBM50306265
CN1CCN(CC(=O)N2CCc3cccc4c3C2CNC4=O)CC1
|
C18H24N4O2 328.416000 |
REMUWNOWOGFYCE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306265; PubChem:CID24772832
|
Local ready
Direct docking supported
|
|
E3L051660
BDB051660
|
BDBM50306266
O=C1NCC2c3c(cccc31)CCN2C(=O)CN1CCN(c2ccccc2)CC1
|
C23H26N4O2 390.487000 |
ZBARAZMYBWKCDU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306266; PubChem:CID24772065
|
Local ready
Direct docking supported
|