| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L030301
BDB030301
|
BDBM610096
CC(=O)N1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)c2ccsc23)CC1
|
C18H17N3O3S 355.419000 |
JSNZDOSUDWQRAZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610096; PubChem:CID57664114
|
Local ready
Direct docking supported
|
|
E3L030302
BDB030302
|
BDBM610097
O=C(NC1CC1)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C15H12N2O2S 284.340000 |
YNVLOYFHINFTCU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610097; PubChem:CID57664167
|
Local ready
Direct docking supported
|
|
E3L030303
BDB030303
|
N-benzyl-4-oxo-5H-thieno[3,2-c]quinoline-7-carboxamide
O=C(NCc1ccccc1)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C19H14N2O2S 334.400000 |
YEUMDTNWIXOVBE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610098; PubChem:CID57664286
|
Local ready
Direct docking supported
|
|
E3L030304
BDB030304
|
BDBM610101
COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C20H14N2O4S 378.409000 |
MDKZLNYYRDPXMM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610101; PubChem:CID57664151
|
Local ready
Direct docking supported
|
|
E3L030305
BDB030305
|
BDBM610104
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)c2ccsc23)CC1
|
C21H23N3O4S 413.499000 |
IEWWJVBECSMPFU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610104; PubChem:CID57664290
|
Local ready
Direct docking supported
|
|
E3L030306
BDB030306
|
BDBM610105
CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)c2ccsc23)CC1
|
C22H25N3O4S 427.526000 |
DCXFFKWZRLNCMY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610105; PubChem:CID57664120
|
Local ready
Direct docking supported
|
|
E3L030307
BDB030307
|
BDBM610109
COc1ccccc1CNC(=O)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C20H16N2O3S 364.426000 |
DFTAKLJKCUKYAL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610109; PubChem:CID57664260
|
Local ready
Direct docking supported
|
|
E3L030308
BDB030308
|
BDBM610110
Cc1cc(CNC(=O)c2ccc3c(c2)[nH]c(=O)c2ccsc23)no1
|
C17H13N3O3S 339.376000 |
RKIQSEXOLYVOJH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610110; PubChem:CID57664238
|
Local ready
Direct docking supported
|
|
E3L030309
BDB030309
|
BDBM610111
COc1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=O)c2ccsc23)cc1
|
C20H16N2O3S 364.426000 |
BJIIXIIUEBOHHT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610111; PubChem:CID57664210
|
Local ready
Direct docking supported
|
|
E3L030310
BDB030310
|
BDBM610113
O=C(NCc1ccccn1)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C18H13N3O2S 335.388000 |
OEEVDQIPPISRIK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610113; PubChem:CID57664109
|
Local ready
Direct docking supported
|
|
E3L030311
BDB030311
|
BDBM610114
O=C(NCCc1ccccc1)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C20H16N2O2S 348.427000 |
JXXHPVFOJMOMJO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610114; PubChem:CID57664221
|
Local ready
Direct docking supported
|
|
E3L030312
BDB030312
|
BDBM610115
O=C(NCc1ccncc1)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C18H13N3O2S 335.388000 |
YDRGLTUMGOSHNA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610115; PubChem:CID57664249
|
Local ready
Direct docking supported
|
|
E3L030313
BDB030313
|
BDBM610116
O=C(NCc1cccnc1)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C18H13N3O2S 335.388000 |
MPSKSPVONPVFPQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610116; PubChem:CID57664125
|
Local ready
Direct docking supported
|
|
E3L030314
BDB030314
|
BDBM610118
O=C(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C23H21N3O4S2 467.572000 |
YHEMHTPTJPCPHB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610118; PubChem:CID57664161
|
Local ready
Direct docking supported
|
|
E3L030315
BDB030315
|
BDBM610120
O=C(c1ccc2c(c1)[nH]c(=O)c1ccsc12)N1CCNCC1
|
C16H15N3O2S 313.382000 |
WFSHEUJNSPCVSF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610120; PubChem:CID57664045
|
Local ready
Direct docking supported
|
|
E3L030316
BDB030316
|
BDBM610121
NC1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)c2ccsc23)CC1
|
C17H17N3O2S 327.409000 |
INVDFTCAYGLDHS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610121; PubChem:CID57664101
|
Local ready
Direct docking supported
|
|
E3L030317
BDB030317
|
BDBM610122
O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C19H12N2O4S 364.382000 |
OZUSAUCIYAEPSG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610122; PubChem:CID57664066
|
Local ready
Direct docking supported
|
|
E3L030318
BDB030318
|
4-Oxo-4,5-dihydrothieno[3,2-c]quinoline-7-carbonitrile
N#Cc1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C12H6N2OS 226.260000 |
FYSSSWKZHVZAFL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610126; PubChem:CID50941660
|
Local ready
Direct docking supported
|
|
E3L030319
BDB030319
|
BDBM610130
COC(=O)c1ccc2c3sccc3c(=O)n(CCCO)c2c1
|
C16H15NO4S 317.366000 |
KGHFBXGGLPKNHV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610130; PubChem:CID50941756
|
Local ready
Direct docking supported
|
|
E3L030320
BDB030320
|
GSK-3|A inhibitor 13
CC1CN(c2ccncc2NC(=O)c2ccnn3cc(-c4ccccc4)nc23)CCO1
|
C23H22N6O2 414.469000 |
MENVSADYTLLXLP-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM610463; PubChem:CID134551592
|
Local ready
Direct docking supported
|