| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031341
BDB031341
|
BDBM627131
O=c1[nH]c2ccc(NS(=O)(=O)c3coc4ccccc34)cc2[nH]1
|
C15H11N3O4S 329.337000 |
WHELNIBEKNHPPN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627131; PubChem:CID137532061
|
Local ready
Direct docking supported
|
|
E3L031342
BDB031342
|
BDBM627132
COc1cccc(-c2ncccc2C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1
|
C20H16N4O3 360.373000 |
JZKGVZSLHZXJHU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627132; PubChem:CID137525634
|
Local ready
Direct docking supported
|
|
E3L031343
BDB031343
|
BDBM627133
O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]c(=O)[nH]c2c1
|
C20H22N4O2 350.422000 |
ZETVGPLOUDSYRU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627133; PubChem:CID137526504
|
Local ready
Direct docking supported
|
|
E3L031344
BDB031344
|
BDBM627134
Nc1ccc2c(c1)CCN2c1ccc2[nH]c(=O)[nH]c2c1
|
C15H14N4O 266.304000 |
QRYUEFSCINEJTP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627134; PubChem:CID137526033
|
Local ready
Direct docking supported
|
|
E3L031345
BDB031345
|
BDBM627135
CC(=O)Nc1ccc2c(c1)CCN2c1ccc2[nH]c(=O)[nH]c2c1
|
C17H16N4O2 308.341000 |
RBXOJXFNJVVYIJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627135; PubChem:CID137526210
|
Local ready
Direct docking supported
|
|
E3L031346
BDB031346
|
BDBM627136
O=C(Nc1cccc(-c2cnco2)c1)c1ccc2[nH]c(=O)[nH]c2c1
|
C17H12N4O3 320.308000 |
BPZDJEFXBSVZBC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627136; PubChem:CID137532090
|
Local ready
Direct docking supported
|
|
E3L031347
BDB031347
|
BDBM627137
CC(C)(C)OC(=O)N1CCc2c(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cccc21
|
C21H22N4O4 394.431000 |
WCBYQSRTIFGKKA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627137; PubChem:CID137526865
|
Local ready
Direct docking supported
|
|
E3L031348
BDB031348
|
BDBM627138
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc2c1CCN2
|
C16H14N4O2 294.314000 |
ULOJZHDCJDAWAP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627138; PubChem:CID137525773
|
Local ready
Direct docking supported
|
|
E3L031349
BDB031349
|
BDBM627139
CC(=O)N1CCc2c(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cccc21
|
C18H16N4O3 336.351000 |
ZFDSCAPEYXJUSC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627139; PubChem:CID137526007
|
Local ready
Direct docking supported
|
|
E3L031350
BDB031350
|
BDBM627140
CC(=O)Nc1ccc(NCc2ccc3[nH]c(=O)[nH]c3c2)cc1
|
C16H16N4O2 296.330000 |
BISKMDVKQLTWID-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627140; PubChem:CID137526046
|
Local ready
Direct docking supported
|
|
E3L031351
BDB031351
|
BDBM627141
CNC(=O)c1ccccc1NC(=O)c1ccc2[nH]c(=O)[nH]c2c1
|
C16H14N4O3 310.313000 |
GSTAFVRQQPCMLV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627141; PubChem:CID84533479
|
Local ready
Direct docking supported
|
|
E3L031352
BDB031352
|
BDBM627142
CC(C)(C)OC(=O)Nc1ccc2c(c1)CCN2Cc1ccc2[nH]c(=O)[nH]c2c1
|
C21H24N4O3 380.448000 |
GDCGRIASRAWQBJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627142; PubChem:CID137532147
|
Local ready
Direct docking supported
|
|
E3L031353
BDB031353
|
BDBM627143
Nc1ccc2c(c1)CCN2Cc1ccc2[nH]c(=O)[nH]c2c1
|
C16H16N4O 280.331000 |
LBZGWXOIXYBYDF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627143; PubChem:CID137526151
|
Local ready
Direct docking supported
|
|
E3L031354
BDB031354
|
BDBM627144
CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc2[nH]c(=O)[nH]c2c1
|
C18H18N4O2 322.368000 |
IBMMZSOKSSAKIA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627144; PubChem:CID137525570
|
Local ready
Direct docking supported
|
|
E3L031355
BDB031355
|
BDBM627145
COC(=O)c1ccccc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
|
C16H13N3O4 311.297000 |
ATTTUWVCVAUICG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627145; PubChem:CID137532093
|
Local ready
Direct docking supported
|
|
E3L031356
BDB031356
|
BDBM627146
O=c1[nH]c2ccc(NC3CCN(Cc4ccccc4)CC3)cc2[nH]1
|
C19H22N4O 322.412000 |
JODNAVIJYMZRQD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627146; PubChem:CID18447175
|
Local ready
Direct docking supported
|
|
E3L031357
BDB031357
|
BDBM627147
COC(=O)c1ccc(Nc2ccc3[nH]c(=O)[nH]c3c2)nc1
|
C14H12N4O3 284.275000 |
ZTUXQDFEKFKSQT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627147; PubChem:CID137526053
|
Local ready
Direct docking supported
|
|
E3L031358
BDB031358
|
5-Phenylmethoxy-1,3-dihydrobenzimidazol-2-one
O=c1[nH]c2ccc(OCc3ccccc3)cc2[nH]1
|
C14H12N2O2 240.262000 |
IEFUYFILDSPAOT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627148; PubChem:CID137525574
|
Local ready
Direct docking supported
|
|
E3L031359
BDB031359
|
BDBM627149
COC(=O)c1ccc2c(c1)CN(Cc1ccc3[nH]c(=O)[nH]c3c1)C2
|
C18H17N3O3 323.352000 |
ZJPYMSIAKBSGFH-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627149; PubChem:CID137525951
|
Local ready
Direct docking supported
|
|
E3L031360
BDB031360
|
BDBM627150
CNC(=O)c1ccc(Oc2ccc3[nH]c(=O)[nH]c3c2)cc1
|
C15H13N3O3 283.287000 |
RPBIKGJPLRYCCC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627150; PubChem:CID137528161
|
Local ready
Direct docking supported
|