| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031221
BDB031221
|
BDBM627007
CNC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc2[nH]c(=O)[nH]c2c1
|
C17H12F3N5O2 375.310000 |
LGGQLLRXUCEFSW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627007; PubChem:CID137525543
|
Local ready
Direct docking supported
|
|
E3L031222
BDB031222
|
BDBM627008
CCCc1nc2cc(C(=O)NC)ccc2n1-c1ccc2[nH]c(=O)[nH]c2c1
|
C19H19N5O2 349.394000 |
AXBQNQHOYAAREQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627008; PubChem:CID137525556
|
Local ready
Direct docking supported
|
|
E3L031223
BDB031223
|
BDBM627009
CNC(=O)c1ccc2c(c1)nc(-c1cnc[nH]1)n2-c1ccc2[nH]c(=O)[nH]c2c1
|
C19H15N7O2 373.376000 |
GTMATBCMCVKSIS-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627009; PubChem:CID137526030
|
Local ready
Direct docking supported
|
|
E3L031224
BDB031224
|
BDBM627010
CNC(=O)c1ccc2c(c1)nc(C(C)C)n2-c1ccc2[nH]c(=O)[nH]c2c1
|
C19H19N5O2 349.394000 |
VBMGENWUUXVQAZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627010; PubChem:CID137525761
|
Local ready
Direct docking supported
|
|
E3L031225
BDB031225
|
US11787802, Example 17
CNC(=O)c1ccc2c(c1)nc(-c1cc(-c3cncn3C)nc3ccccc13)n2-c1ccc2c(c1)n(C)c(=O)n2C
|
C31H26N8O2 542.603000 |
MNHMCDLAVZABLZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627011; PubChem:CID137525580
|
Local ready
Direct docking supported
|
|
E3L031226
BDB031226
|
BDBM627012
CN(C)C(=O)c1ccc2c(c1)nc(-c1cc(-c3cncn3C)nc3ccccc13)n2-c1ccc2[nH]c(=O)[nH]c2c1
|
C30H24N8O2 528.576000 |
AUQOKESMTJBVKG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627012; PubChem:CID137525555
|
Local ready
Direct docking supported
|
|
E3L031227
BDB031227
|
5-Pyridin-3-yl-1,3-dihydrobenzimidazol-2-one
O=c1[nH]c2ccc(-c3cccnc3)cc2[nH]1
|
C12H9N3O 211.224000 |
ZRTKTZIAVVSSAA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627013; PubChem:CID20535851
|
Local ready
Direct docking supported
|
|
E3L031228
BDB031228
|
5-(2-Chloro-4-pyridinyl)-1,3-dihydrobenzimidazol-2-one
O=c1[nH]c2ccc(-c3ccnc(Cl)c3)cc2[nH]1
|
C12H8ClN3O 245.669000 |
DPDAOCZHGMHCSX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627014; PubChem:CID137528075
|
Local ready
Direct docking supported
|
|
E3L031229
BDB031229
|
BDBM627015
Cc1ncc(-c2ccc3[nH]c(=O)[nH]c3c2)s1
|
C11H9N3OS 231.280000 |
QBDQPOWWEXVGMJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627015; PubChem:CID137532067
|
Local ready
Direct docking supported
|
|
E3L031230
BDB031230
|
BDBM627016
CC(=O)N1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
|
C14H16N4O3 288.307000 |
VEYCJQHCDPKBGB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627016; PubChem:CID110400176
|
Local ready
Direct docking supported
|
|
E3L031231
BDB031231
|
BDBM627017
CC(=O)N1CCC(NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
|
C15H18N4O3 302.334000 |
VYPXSKDBSCZJFY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627017; PubChem:CID137525617
|
Local ready
Direct docking supported
|
|
E3L031232
BDB031232
|
BDBM627018
O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCc2ccccc21
|
C16H13N3O2 279.299000 |
BYUKFAHELYGUTQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627018; PubChem:CID110692357
|
Local ready
Direct docking supported
|
|
E3L031233
BDB031233
|
BDBM627019
Cn1c(=O)n(C)c2cc(NC(=O)c3ccco3)ccc21
|
C14H13N3O3 271.276000 |
PXUXISCPTMJYNY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627019; PubChem:CID2988902
|
Local ready
Direct docking supported
|
|
E3L031234
BDB031234
|
BDBM627020
O=c1[nH]c2ccc(CCCc3ccccc3)nc2[nH]1
|
C15H15N3O 253.305000 |
XRANPLGMSMONBT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627020; PubChem:CID137526221
|
Local ready
Direct docking supported
|
|
E3L031235
BDB031235
|
US11787802, Example 27
Cn1c(=O)[nH]c2ncc(C(=O)Nc3ccccc3)cc21
|
C14H12N4O2 268.276000 |
KRNJDQUJJHVECC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627021; PubChem:CID137525758
|
Local ready
Direct docking supported
|
|
E3L031236
BDB031236
|
BDBM627022
CNC(=O)c1ccc2c(c1)nc(Cc1cccc(OC)c1)n2-c1ccc2[nH]c(=O)[nH]c2c1
|
C24H21N5O3 427.464000 |
JSVLOZNKSMHOJR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627022; PubChem:CID137525896
|
Local ready
Direct docking supported
|
|
E3L031237
BDB031237
|
BDBM627023
CC(=O)NC1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
|
C15H18N4O3 302.334000 |
OHQRGKPBQIAMAA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627023; PubChem:CID49347671
|
Local ready
Direct docking supported
|
|
E3L031238
BDB031238
|
BDBM627024
CNC(=O)c1ccc2nc(C(C)C)n(-c3ccc4[nH]c(=O)[nH]c4c3)c2c1
|
C19H19N5O2 349.394000 |
ATOHHKIOFCUQFN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627024; PubChem:CID137526126
|
Local ready
Direct docking supported
|
|
E3L031239
BDB031239
|
US11787802, Example 31
Cn1cncc1-c1cc(-c2nc3ccccc3n2-c2ccc3c(c2)n(C)c(=O)n3C)c2ccccc2n1
|
C29H23N7O 485.551000 |
JEGOJLFKHNHJSB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627025; PubChem:CID137525755
|
Local ready
Direct docking supported
|
|
E3L031240
BDB031240
|
BDBM627026
CC(C)c1nccn1-c1ccc2[nH]c(=O)[nH]c2c1
|
C13H14N4O 242.282000 |
VYQFWTBCUXIMRX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627026; PubChem:CID137525578
|
Local ready
Direct docking supported
|