| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031241
BDB031241
|
5-(2-Oxopyrrolidin-1-yl)-1,3-dihydrobenzimidazol-2-one
O=C1CCCN1c1ccc2[nH]c(=O)[nH]c2c1
|
C11H11N3O2 217.228000 |
WCJOWYPOCWXCIM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627027; PubChem:CID137526171
|
Local ready
Direct docking supported
|
|
E3L031242
BDB031242
|
US11787802, Example 34
CC(C)c1nc2ccccc2n1-c1ccc2c(c1)[nH]c(=O)n2C
|
C18H18N4O 306.369000 |
AJIHBTOXNLWWLG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627028; PubChem:CID137525566
|
Local ready
Direct docking supported
|
|
E3L031243
BDB031243
|
US11787802, Example 35
CC(C)c1nc2ccccc2n1-c1ccc2[nH]c(=O)n(C)c2c1
|
C18H18N4O 306.369000 |
HAGXUSPKGMSTFM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627029; PubChem:CID137525795
|
Local ready
Direct docking supported
|
|
E3L031244
BDB031244
|
BDBM627030
O=c1[nH]c2cnc(-c3ccc(F)cc3)cc2[nH]1
|
C12H8FN3O 229.214000 |
HUPSAGSDHOBPGQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627030; PubChem:CID137525638
|
Local ready
Direct docking supported
|
|
E3L031245
BDB031245
|
5-(2,5-Difluorophenyl)-1,3-dihydrobenzimidazol-2-one
O=c1[nH]c2ccc(-c3cc(F)ccc3F)cc2[nH]1
|
C13H8F2N2O 246.216000 |
AHXDRAYYIXKPFA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627031; PubChem:CID137525610
|
Local ready
Direct docking supported
|
|
E3L031246
BDB031246
|
5-(2,4-Difluorophenyl)-1,3-dihydrobenzimidazol-2-one
O=c1[nH]c2ccc(-c3ccc(F)cc3F)cc2[nH]1
|
C13H8F2N2O 246.216000 |
SPGIUHPEGKRMGR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627032; PubChem:CID137525779
|
Local ready
Direct docking supported
|
|
E3L031247
BDB031247
|
BDBM627033
COc1ccc(Cc2ccc3[nH]c(=O)[nH]c3c2)cc1
|
C15H14N2O2 254.289000 |
KWTOEWGEPHRVDQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM627033
|
Local ready
Direct docking supported
|
|
E3L031248
BDB031248
|
BDBM627034
O=c1[nH]c2ccc(N3CCN(c4ccccn4)CC3)nc2[nH]1
|
C15H16N6O 296.334000 |
NCTLDQIXXQEMJO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627034; PubChem:CID137525759
|
Local ready
Direct docking supported
|
|
E3L031249
BDB031249
|
5-(4-Pyrrol-1-ylphenyl)-1,3-dihydrobenzimidazol-2-one
O=c1[nH]c2ccc(-c3ccc(-n4cccc4)cc3)cc2[nH]1
|
C17H13N3O 275.311000 |
HBTBWSHCHROZSK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627035; PubChem:CID137526353
|
Local ready
Direct docking supported
|
|
E3L031250
BDB031250
|
5-Quinolin-5-yl-1,3-dihydrobenzimidazol-2-one
O=c1[nH]c2ccc(-c3cccc4ncccc34)cc2[nH]1
|
C16H11N3O 261.284000 |
XLELRWWXLFDUPJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627036; PubChem:CID137525607
|
Local ready
Direct docking supported
|
|
E3L031251
BDB031251
|
1-Methyl-5-phenyl-3H-imidazo[4,5-b]pyridin-2-one
Cn1c(=O)[nH]c2nc(-c3ccccc3)ccc21
|
C13H11N3O 225.251000 |
ZFPOQOARQBQWDA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627038; PubChem:CID137525559
|
Local ready
Direct docking supported
|
|
E3L031252
BDB031252
|
BDBM627039
CNC(=O)c1ccc2c(c1)nc(Cc1ccccc1OC)n2-c1ccc2[nH]c(=O)[nH]c2c1
|
C24H21N5O3 427.464000 |
PGOVNHSEQHVCQE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627039; PubChem:CID137525964
|
Local ready
Direct docking supported
|
|
E3L031253
BDB031253
|
BDBM627040
CNC(=O)c1ccc2c(c1)nc(C(C)(C)C)n2-c1ccc2[nH]c(=O)[nH]c2c1
|
C20H21N5O2 363.421000 |
YAXUNHRGOPUZEM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627040; PubChem:CID137525776
|
Local ready
Direct docking supported
|
|
E3L031254
BDB031254
|
BDBM627041
COC(=O)c1cccc2c1nc(C(C)C)n2-c1ccc2[nH]c(=O)[nH]c2c1
|
C19H18N4O3 350.378000 |
ZVIXMLNYOQMDRH-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627041; PubChem:CID137525775
|
Local ready
Direct docking supported
|
|
E3L031255
BDB031255
|
BDBM627042
COC(=O)c1ccc2nc(C(C)C)n(-c3ccc4[nH]c(=O)[nH]c4c3)c2c1
|
C19H18N4O3 350.378000 |
UILKHEHUOCVPKN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627042; PubChem:CID142535919
|
Local ready
Direct docking supported
|
|
E3L031256
BDB031256
|
US11787802, Example 49
Cn1c(=O)n(C)c2cc(Nc3ccccc3[N+](=O)[O-])ccc21
|
C15H14N4O3 298.302000 |
VKLRHMOMUPPBSI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627043; PubChem:CID49226728
|
Local ready
Direct docking supported
|
|
E3L031257
BDB031257
|
US11787802, Example 50
Cn1c(=O)n(C)c2cc(Nc3ccccc3N)ccc21
|
C15H16N4O 268.320000 |
MZNFNBURJGAQAZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627044; PubChem:CID137525769
|
Local ready
Direct docking supported
|
|
E3L031258
BDB031258
|
BDBM627045
O=C(NC1CCNCC1)c1ccc2[nH]c(=O)[nH]c2c1
|
C13H16N4O2 260.297000 |
LHKPXRWDEWNSFE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627045; PubChem:CID83552084
|
Local ready
Direct docking supported
|
|
E3L031259
BDB031259
|
US11787802, Example 52
Cn1c(=O)[nH]c2ccc(Nc3ccccc3N)cc21
|
C14H14N4O 254.293000 |
SUDVIDUHRVPFAH-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627046; PubChem:CID137526036
|
Local ready
Direct docking supported
|
|
E3L031260
BDB031260
|
US11787802, Example 53
Cn1c(=O)[nH]c2cc(Nc3ccccc3N)ccc21
|
C14H14N4O 254.293000 |
VBVUYMPXRGFZOG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627047; PubChem:CID137526149
|
Local ready
Direct docking supported
|