| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046281
BDB046281
|
BDBM50130572
O=C(CN1CCC(N2CCCC2)CC1)Nc1ccc2[nH]c(=O)c3ccccc3c2n1
|
C23H27N5O2 405.502000 |
XEKQXWYAIADGIV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50130572; PubChem:CID10928352
|
Local ready
Direct docking supported
|
|
E3L046282
BDB046282
|
BDBM50130573
CN(C)C1CCN(c2ccc3[nH]c(=O)c4ccccc4c3n2)CC1
|
C19H22N4O 322.412000 |
IYWKYYMYMZIKGL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50130573; PubChem:CID44336846
|
Local ready
Direct docking supported
|
|
E3L046283
BDB046283
|
BDBM50130574
C[N+]1([O-])CCN(c2ccc3[nH]c(=O)c4ccccc4c3n2)CC1
|
C17H18N4O2 310.357000 |
NDQYUPQGHMVWNT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50130574; PubChem:CID10979819
|
Local ready
Direct docking supported
|
|
E3L046284
BDB046284
|
BDBM50130575
CN1CCN(c2ccc3[nH]c(=O)c4ccccc4c3n2)CC1
|
C17H18N4O 294.358000 |
YRVTWLAUEOBDFG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50130575; PubChem:CID9796149
|
Local ready
Direct docking supported
|
|
E3L046285
BDB046285
|
BDBM50130576
CN1C[C@H]2C[C@@H]1CN2c1ccc2[nH]c(=O)c3ccccc3c2n1
|
C18H18N4O 306.369000 |
JHMMKZPBWFIZNP-VXGBXAGGSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50130576; PubChem:CID44336824
|
Local ready
Direct docking supported
|
|
E3L046286
BDB046286
|
BDBM50130577
CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2n1
|
C16H16N4O2 296.330000 |
SWCXAPOVHZLMII-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50130577; PubChem:CID10936513
|
Local ready
Direct docking supported
|
|
E3L046287
BDB046287
|
BDBM50130578
O=c1[nH]c2ccc(N3C[C@H]4C[C@@H]3CN4)nc2c2ccccc12
|
C17H16N4O 292.342000 |
RVGWPUZNSHYBHH-GHMZBOCLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50130578; PubChem:CID11080006
|
Local ready
Direct docking supported
|
|
E3L046288
BDB046288
|
5H-Benzo[c][1,6]naphthyridin-6-one
O=c1[nH]c2ccncc2c2ccccc12
|
C12H8N2O 196.209000 |
PHKKGRKUGQPYDX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50130579; PubChem:CID15488572
|
Local ready
Direct docking supported
|
|
E3L046289
BDB046289
|
3-aminobenzo[c][1,5]naphthyridin-6(5H)-one
Nc1cnc2c(c1)[nH]c(=O)c1ccccc12
|
C12H9N3O 211.224000 |
PSWYPUADRXNJGE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50130580; PubChem:CID16221809
|
Local ready
Direct docking supported
|
|
E3L046290
BDB046290
|
Benzo[h]-1,6-naphthyridin-5(6H)-one
O=c1[nH]c2ccccc2c2ncccc12
|
C12H8N2O 196.209000 |
JMTLQELGMAHUEB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50130581; PubChem:CID10878066
|
Local ready
Direct docking supported
|
|
E3L046291
BDB046291
|
BDBM50130582
CC(C)N1CCN(CC(=O)Nc2cnc3c(c2)[nH]c(=O)c2ccccc23)CC1
|
C21H25N5O2 379.464000 |
OZOIZIWYTIHULZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50130582; PubChem:CID11015219
|
Local ready
Direct docking supported
|
|
E3L046292
BDB046292
|
5H-Benzo(c)(1,8)naphthyridin-6-one
O=c1[nH]c2ncccc2c2ccccc12
|
C12H8N2O 196.209000 |
YLSBDRGLLZDAKB-UHFFFAOYSA-N | O14965, P09874 | Aurora kinase A, Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50130583; PubChem:CID12342815
|
Local ready
Direct docking supported
|
|
E3L046293
BDB046293
|
Benzo[c][2,7]naphthyridin-5(6H)-one
O=c1[nH]c2ccccc2c2ccncc12
|
C12H8N2O 196.209000 |
HPFOEWJXDNWCTH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50130584; PubChem:CID10081381
|
Local ready
Direct docking supported
|
|
E3L046294
BDB046294
|
benzo[c][1,5]naphthyridin-6(5H)-one
O=c1[nH]c2cccnc2c2ccccc12
|
C12H8N2O 196.209000 |
NGHUYPCHBUPCNK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50130585; PubChem:CID10535869
|
Local ready
Direct docking supported
|
|
E3L046295
BDB046295
|
BDBM50130586
CN(C)CC(=O)Nc1cnc2c(c1)[nH]c(=O)c1ccccc12
|
C16H16N4O2 296.330000 |
PWWKNIZIOVXOKQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50130586; PubChem:CID11067571
|
Local ready
Direct docking supported
|
|
E3L046296
BDB046296
|
Benzo[f][1,7]naphthyridin-5(6H)-one
O=c1[nH]c2ccccc2c2cccnc12
|
C12H8N2O 196.209000 |
JPHOMKGRECYZES-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50130587; PubChem:CID10867239
|
Local ready
Direct docking supported
|
|
E3L046297
BDB046297
|
BDBM50130588
O=c1[nH]c2ccc(NCCN3CCOCC3)nc2c2ccccc12
|
C18H20N4O2 324.384000 |
GSSQKNYFBLSZQD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50130588; PubChem:CID10871043
|
Local ready
Direct docking supported
|
|
E3L046298
BDB046298
|
BDBM50130589
CCN(CC)CCNc1ccc2[nH]c(=O)c3ccccc3c2n1
|
C18H22N4O 310.401000 |
JHVKDQAXWUMOCB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50130589; PubChem:CID11781868
|
Local ready
Direct docking supported
|
|
E3L046299
BDB046299
|
5H-Benzo[c][1,7]naphthyridin-6-one
O=c1[nH]c2cnccc2c2ccccc12
|
C12H8N2O 196.209000 |
RGJWBNVVXDVAMV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50130590; PubChem:CID10375426
|
Local ready
Direct docking supported
|
|
E3L046300
BDB046300
|
BDBM50130591
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1CN2c1ccc2[nH]c(=O)c3ccccc3c2n1
|
C22H24N4O3 392.459000 |
SPOXGLLCBWABKW-ZIAGYGMSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50130591; PubChem:CID10938033
|
Local ready
Direct docking supported
|