| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L059081
BDB059081
|
BDBM50522324
COc1ccccc1N1CCN(c2nc3c(c(=O)[nH]2)C[S+]([O-])CC3)CC1
|
C18H22N4O3S 374.466000 |
FNWSNPIZSCHHJZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50522324; PubChem:CID155556919
|
Local ready
Direct docking supported
|
|
E3L059082
BDB059082
|
BDBM50522325
O=c1[nH]c(N2CCC3(CC2)CNc2ccccc23)nc2c1CCCC2
|
C20H24N4O 336.439000 |
SBYKJNMYJXVHLX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50522325; PubChem:CID138594414
|
Local ready
Direct docking supported
|
|
E3L059083
BDB059083
|
BDBM50522327
O=C1OC2(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c2ccccc21
|
C20H21N3O3 351.406000 |
CYTPHLGUFRTMFU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50522327; PubChem:CID138594360
|
Local ready
Direct docking supported
|
|
E3L059084
BDB059084
|
BDBM50522328
O=C1N(CCO)c2ccccc2C12CCN(c1nc3c(c(=O)[nH]1)CCCC3)CC2
|
C22H26N4O3 394.475000 |
RBDQSAKXGCRFGL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50522328; PubChem:CID155553178
|
Local ready
Direct docking supported
|
|
E3L059085
BDB059085
|
BDBM50522329
COc1ccccc1N1CCN(c2nc3c(c(=O)[nH]2)CSCC3)CC1
|
C18H22N4O2S 358.467000 |
PBMBCYUKPBTOQE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50522329; PubChem:CID155521523
|
Local ready
Direct docking supported
|
|
E3L059086
BDB059086
|
BDBM50522330
O=C1N(CCO)c2cc(Cl)cc(Cl)c2C12CCN(c1nc3c(c(=O)[nH]1)CCCC3)CC2
|
C22H24Cl2N4O3 463.365000 |
VUDVJHSDJGLCGJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50522330; PubChem:CID138594667
|
Local ready
Direct docking supported
|
|
E3L059087
BDB059087
|
BDBM50522331
COc1ccccc1N1CCN(c2nc3c(c(=O)[nH]2)CC(F)(F)CC3)CC1
|
C19H22F2N4O2 376.407000 |
DKYAMBSWXNVNIR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50522331; PubChem:CID155538013
|
Local ready
Direct docking supported
|
|
E3L059088
BDB059088
|
BDBM50522333
O=c1[nH]c(N2CCC3(CC2)OCc2ccccc23)nc2c1CCCC2
|
C20H23N3O2 337.423000 |
QAPCSHKKOSUOHO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50522333; PubChem:CID138594498
|
Local ready
Direct docking supported
|
|
E3L059089
BDB059089
|
BDBM50522335
COc1ccc(N2CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)cc1
|
C19H24N4O2 340.427000 |
NQWCDPUWUGDETK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50522335; PubChem:CID135417609
|
Local ready
Direct docking supported
|
|
E3L059090
BDB059090
|
BDBM50522338
O=c1[nH]c(N2CCC3(CC2)CN(CCO)c2ccccc23)nc2c1CCCC2
|
C22H28N4O2 380.492000 |
LZWJZQDOBCFTSD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50522338; PubChem:CID138594506
|
Local ready
Direct docking supported
|
|
E3L059091
BDB059091
|
BDBM50522339
O=c1[nH]c(N2CCC3(CC2)CN(CCO)c2cc(Cl)cc(Cl)c23)nc2c1CCCC2
|
C22H26Cl2N4O2 449.382000 |
ULCGWFIERYSNSV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50522339; PubChem:CID138594578
|
Local ready
Direct docking supported
|
|
E3L059092
BDB059092
|
BDBM50522340
O=C1N(CCO)c2cccc(F)c2C12CCN(c1nc3c(c(=O)[nH]1)CCCC3)CC2
|
C22H25FN4O3 412.465000 |
DWXBRPPQEBUSHN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50522340; PubChem:CID155564702
|
Local ready
Direct docking supported
|
|
E3L059093
BDB059093
|
BDBM50522342
COc1cccc(N2CCN(c3nc4c(c(=O)[nH]3)CSCC4)CC2)c1
|
C18H22N4O2S 358.467000 |
HKHWXFAGFIXRIT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50522342; PubChem:CID155549220
|
Local ready
Direct docking supported
|
|
E3L059094
BDB059094
|
BDBM50522343
COc1ccc(N2CCN(c3nc4c(c(=O)[nH]3)CSCC4)CC2)cc1
|
C18H22N4O2S 358.467000 |
SKGIFHCXRRJZOC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50522343; PubChem:CID155522687
|
Local ready
Direct docking supported
|
|
E3L059095
BDB059095
|
BDBM50522344
COc1ccc(N2CCN(c3nc4c(c(=O)[nH]3)COCC4)CC2)cc1
|
C18H22N4O3 342.399000 |
LKXXRPOJTMCZTK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50522344; PubChem:CID155518640
|
Local ready
Direct docking supported
|
|
E3L059096
BDB059096
|
BDBM50522345
COc1ccc(N2CCN(c3nc4c(c(=O)[nH]3)CC(F)(F)CC4)CC2)cc1
|
C19H22F2N4O2 376.407000 |
CBWFQPMXOMDMKI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50522345; PubChem:CID155528458
|
Local ready
Direct docking supported
|
|
E3L059097
BDB059097
|
BDBM50522347
COc1ccccc1C1=CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1
|
C20H23N3O2 337.423000 |
HMPAJUGZRUZDQJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50522347; PubChem:CID155535415
|
Local ready
Direct docking supported
|
|
E3L059098
BDB059098
|
BDBM50522348
COc1ccccc1C1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1
|
C20H25N3O2 339.439000 |
XNKSDYBDUSFGDT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50522348; PubChem:CID136268378
|
Local ready
Direct docking supported
|
|
E3L059099
BDB059099
|
BDBM50522349
O=C1Oc2ccccc2C12CCN(c1nc3c(c(=O)[nH]1)CCCC3)CC2
|
C20H21N3O3 351.406000 |
XGTNOTWEBRRAKO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50522349; PubChem:CID138594785
|
Local ready
Direct docking supported
|
|
E3L059100
BDB059100
|
BDBM50522350
O=C1NC2(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c2ccccc21
|
C20H22N4O2 350.422000 |
YZLWXJLWHXPUGR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50522350; PubChem:CID155540828
|
Local ready
Direct docking supported
|