| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047161
BDB047161
|
BDBM50165474
CC(=O)Oc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
|
C17H14N2O3 294.310000 |
YAPWIIJGUPEETK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50165474; PubChem:CID44401996
|
Local ready
Direct docking supported
|
|
E3L047162
BDB047162
|
BDBM50165475
CCCNC(=O)Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
|
C19H20N4O2 336.395000 |
LUJZFLMKPMTTOA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50165475; PubChem:CID44402327
|
Local ready
Direct docking supported
|
|
E3L047163
BDB047163
|
BDBM50165477
CCC(=O)Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
|
C18H17N3O2 307.353000 |
JZHZYDWBOPFLGO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50165477; PubChem:CID44402230
|
Local ready
Direct docking supported
|
|
E3L047164
BDB047164
|
BDBM50165478
O=c1[nH]nc(Cc2cccc(-n3c(O)ccc3O)c2)c2ccccc12
|
C19H15N3O3 333.347000 |
MKHLHBYKZULRCX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50165478; PubChem:CID91219912
|
Local ready
Direct docking supported
|
|
E3L047165
BDB047165
|
BDBM50165479
CC1(C)CC(=O)N(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1=O
|
C21H18FN3O3 379.391000 |
JSAALSYHHBZMKK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50165479; PubChem:CID44402125
|
Local ready
Direct docking supported
|
|
E3L047166
BDB047166
|
BDBM50165480
Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
|
C26H20N4O2S 452.539000 |
CQPPAVLCJPKURR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50165480; PubChem:CID44402324
|
Local ready
Direct docking supported
|
|
E3L047167
BDB047167
|
BDBM50165481
CCCC(=O)Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
|
C19H19N3O2 321.380000 |
WRDDMOMACIOBIN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50165481; PubChem:CID44402096
|
Local ready
Direct docking supported
|
|
E3L047168
BDB047168
|
BDBM50165482
O=C1c2ccccc2C(=O)N1c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
|
C23H15N3O3 381.391000 |
VVHSXBBCHBGZKG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50165482; PubChem:CID18444350
|
Local ready
Direct docking supported
|
|
E3L047169
BDB047169
|
BDBM50165483
CCNC(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
|
C18H17N3O2 307.353000 |
YELRQRZEPMCVBA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50165483; PubChem:CID44402155
|
Local ready
Direct docking supported
|
|
E3L047170
BDB047170
|
BDBM50165484
COc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1-n1c(O)ccc1O
|
C20H17N3O4 363.373000 |
XERQVOBYFUPWCB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50165484; PubChem:CID91398391
|
Local ready
Direct docking supported
|
|
E3L047171
BDB047171
|
BDBM50165485
O=C(Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)C(F)(F)F
|
C17H12F3N3O2 347.296000 |
FQUGYQMEXFENDI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50165485; PubChem:CID44402080
|
Local ready
Direct docking supported
|
|
E3L047172
BDB047172
|
BDBM50165486
O=c1[nH]nc(Cc2ccc(F)c(-n3c(O)ccc3O)c2)c2ccccc12
|
C19H14FN3O3 351.337000 |
QOPWNMFZIUEUIJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50165486; PubChem:CID91151129
|
Local ready
Direct docking supported
|
|
E3L047173
BDB047173
|
BDBM50165487
O=C1C=CC(=O)N1c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
|
C19H13N3O3 331.331000 |
OKOQVTWKOPFLQX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50165487; PubChem:CID18444343
|
Local ready
Direct docking supported
|
|
E3L047174
BDB047174
|
BDBM50165488
O=C1CCCC(=O)N1c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
|
C20H16FN3O3 365.364000 |
YBPFTOWPXQAXLI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50165488; PubChem:CID11675005
|
Local ready
Direct docking supported
|
|
E3L047175
BDB047175
|
4-(3-(2-oxopyrrolidin-1-yl)benzyl)phthalazin-1(2H)-one
O=C1CCCN1c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
|
C19H17N3O2 319.364000 |
GJMJJWLKXRWMKJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50165489; PubChem:CID18444370
|
Local ready
Direct docking supported
|
|
E3L047176
BDB047176
|
BDBM50165490
Cc1noc(-c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)n1
|
C18H14N4O2 318.336000 |
AFGHIKCFBLTHES-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50165490; PubChem:CID44402245
|
Local ready
Direct docking supported
|
|
E3L047177
BDB047177
|
BDBM50165491
CCS(=O)(=O)Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
|
C17H17N3O3S 343.408000 |
WCPWGYRDASAKSH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50165491; PubChem:CID44402244
|
Local ready
Direct docking supported
|
|
E3L047178
BDB047178
|
BDBM50165492
CN1CC(=O)N(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(=O)C1
|
C20H17FN4O3 380.379000 |
HFSGPXBBTUYHGE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50165492; PubChem:CID18444338
|
Local ready
Direct docking supported
|
|
E3L047179
BDB047179
|
BDBM50165493
CCOC(=O)Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
|
C18H17N3O3 323.352000 |
UIEUQVNKZJRRFZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50165493; PubChem:CID44402081
|
Local ready
Direct docking supported
|
|
E3L047180
BDB047180
|
BDBM50165494
CC(=O)Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
|
C17H15N3O2 293.326000 |
SPNDWPWFOVQMEU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50165494; PubChem:CID44401997
|
Local ready
Direct docking supported
|