| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L025281
BDB025281
|
US11292792, Cmpd # I-42
O=C1CCC(n2c3ccccc3c3ccncc32)C(=O)N1
|
C16H13N3O2 279.299000 |
HNUYRCOFYBNSHD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547712; PubChem:CID138727945
|
Local ready
Direct docking supported
|
|
E3L025282
BDB025282
|
US11292792, Cmpd # I-43
O=C1CCC(n2c3ccccc3c3cnccc32)C(=O)N1
|
C16H13N3O2 279.299000 |
CUVRZBKUGKVECT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547713; PubChem:CID153310518
|
Local ready
Direct docking supported
|
|
E3L025283
BDB025283
|
US11292792, Cmpd # I-44
CN(CCCOCCCc1ccc2c(c1)c1cccnc1n2C1CCC(=O)NC1=O)C(=O)OC(C)(C)C
|
C28H36N4O5 508.619000 |
WVGNRPQUVRYVHK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547714; PubChem:CID138695505
|
Local ready
Direct docking supported
|
|
E3L025284
BDB025284
|
US11292792, Cmpd # I-45
CN(CCCOCC#Cc1ccc2c(c1)c1cccnc1n2C1CCC(=O)NC1=O)C(=O)OC(C)(C)C
|
C28H32N4O5 504.587000 |
HZJWFCZECUWBMO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547715; PubChem:CID138728315
|
Local ready
Direct docking supported
|
|
E3L025285
BDB025285
|
US11292792, Cmpd # I-46
O=C1CCC(n2c3ccc(CCCOCCOCCO)cc3c3cccnc32)C(=O)N1
|
C23H27N3O5 425.485000 |
RQEXYEFKGBWQTC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547716; PubChem:CID153310501
|
Local ready
Direct docking supported
|
|
E3L025286
BDB025286
|
US11292792, Cmpd # I-47
O=C1CCC(n2c3ccc(C#CCOCCOCCOCc4ccccc4)cc3c3cccnc32)C(=O)N1
|
C30H29N3O5 511.578000 |
IKNMCHDWQZMMDX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547717; PubChem:CID153310415
|
Local ready
Direct docking supported
|
|
E3L025287
BDB025287
|
US11292792, Cmpd # I-48
O=C1CCC(n2c3ccccc3c3c(CCCOCCOCCO)ccnc32)C(=O)N1
|
C23H27N3O5 425.485000 |
FFCZJUYDEIAUHA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547718; PubChem:CID153310488
|
Local ready
Direct docking supported
|
|
E3L025288
BDB025288
|
US11292792, Cmpd # I-49
O=C1CCC(n2c3ccccc3c3c(C#CCOCCOCCOCc4ccccc4)ccnc32)C(=O)N1
|
C30H29N3O5 511.578000 |
YWYPFSNXEQBNQL-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547719; PubChem:CID149447459
|
Local ready
Direct docking supported
|
|
E3L025289
BDB025289
|
US11292792, Cmpd # I-50
O=C1CCC(n2c3ccc(NCCOCCOCCOCc4ccccc4)cc3c3cccnc32)C(=O)N1
|
C29H32N4O5 516.598000 |
LWKOHOSDKLGEIC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547720; PubChem:CID148425400
|
Local ready
Direct docking supported
|
|
E3L025290
BDB025290
|
US11292792, Cmpd # I-51
O=C1CCC(n2c3cccc(CCCOCCOCCO)c3c3cccnc32)C(=O)N1
|
C23H27N3O5 425.485000 |
IYKNQKUBCNOFAV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547721; PubChem:CID148008887
|
Local ready
Direct docking supported
|
|
E3L025291
BDB025291
|
US11292792, Cmpd # I-52
O=C1CCC(n2c3cccc(C#CCOCCOCCOCc4ccccc4)c3c3cccnc32)C(=O)N1
|
C30H29N3O5 511.578000 |
MDZPNGRQUVITPA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547722; PubChem:CID148465828
|
Local ready
Direct docking supported
|
|
E3L025292
BDB025292
|
US11292792, Cmpd # I-53
O=C1CCC(n2c3cc(CCCOCCOCCO)ccc3c3cccnc32)C(=O)N1
|
C23H27N3O5 425.485000 |
NJPKLVFWJMYAQT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547723; PubChem:CID153310401
|
Local ready
Direct docking supported
|
|
E3L025293
BDB025293
|
US11292792, Cmpd # I-54
O=C1CCC(n2c3ccccc3c3cc(CCCOCCOCCO)cnc32)C(=O)N1
|
C23H27N3O5 425.485000 |
KAQZSUHYIKNSMA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547724; PubChem:CID148160888
|
Local ready
Direct docking supported
|
|
E3L025294
BDB025294
|
US11292792, Cmpd # I-55
O=C1CCC(n2c3c(c4cccnc42)CN(Cc2ccccc2)CC3)C(=O)N1
|
C22H22N4O2 374.444000 |
VUZNRWSEUCWVAP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547725; PubChem:CID153121738
|
Local ready
Direct docking supported
|
|
E3L025295
BDB025295
|
US11292792, Cmpd # I-56
O=C1CCC(n2c3ccncc3c3cccnc32)C(=O)N1
|
C15H12N4O2 280.287000 |
IZELXQMYVJPRBE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547726; PubChem:CID153310470
|
Local ready
Direct docking supported
|
|
E3L025296
BDB025296
|
US11292792, Cmpd # I-57
CC(C)(C)OC(=O)NCCOCCOCCCc1ccnc2c1c1ccccc1n2C1CCC(=O)NC1=O
|
C28H36N4O6 524.618000 |
JLEJQFBYSQLXKM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547727; PubChem:CID138694074
|
Local ready
Direct docking supported
|
|
E3L025297
BDB025297
|
US11292792, Cmpd # I-58
CC(C)(C)OC(=O)NCCOCCOCCCc1ccc2c3cccnc3n(C3CCC(=O)NC3=O)c2c1
|
C28H36N4O6 524.618000 |
ALLCHKMKSNIVMZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547728; PubChem:CID138694687
|
Local ready
Direct docking supported
|
|
E3L025298
BDB025298
|
US11292792, Cmpd # I-59
NCCOCCOCCCc1cnc2c(c1)c1ccccc1n2C1CCC(=O)NC1=O
|
C23H28N4O4 424.501000 |
NKSCNYVYDRSGPR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547729; PubChem:CID151213209
|
Local ready
Direct docking supported
|
|
E3L025299
BDB025299
|
US11292792, Cmpd # I-60
CC(C)(C)OC(=O)NCCOCCOCCCc1cccc2c1c1cccnc1n2C1CCC(=O)NC1=O
|
C28H36N4O6 524.618000 |
WAYCCNFZQDZGBS-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547730; PubChem:CID138696129
|
Local ready
Direct docking supported
|
|
E3L025300
BDB025300
|
US11292792, Cmpd # I-61
CC(C)(C)OC(=O)NCCOCCOCC#Cc1cccc2c1c1cccnc1n2C1CCC(=O)NC1=O
|
C28H32N4O6 520.586000 |
GTOLKWSOWNTJLA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547731; PubChem:CID138727458
|
Local ready
Direct docking supported
|