| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L025301
BDB025301
|
US11292792, Cmpd # I-62
CC(C)(C)OC(=O)NCCOCCOCCCc1ccc2c(c1)c1cccnc1n2C1CCC(=O)NC1=O
|
C28H36N4O6 524.618000 |
NMVBHLLLHLHJBN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547732; PubChem:CID138695475
|
Local ready
Direct docking supported
|
|
E3L025302
BDB025302
|
US11292792, Cmpd # I-63
CC(C)(C)OC(=O)NCCOCCOCC#Cc1ccc2c(c1)c1cccnc1n2C1CCC(=O)NC1=O
|
C28H32N4O6 520.586000 |
ZWMVOBDOXLROMY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547733; PubChem:CID138727553
|
Local ready
Direct docking supported
|
|
E3L025303
BDB025303
|
US11292792, Cmpd # I-64
CC(C)(C)OC(=O)N1CCN(CCc2ccc3c(c2)c2cccnc2n3C2CCC(=O)NC2=O)CC1
|
C27H33N5O4 491.592000 |
XGGDTMGJPBGVOW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547734; PubChem:CID152385285
|
Local ready
Direct docking supported
|
|
E3L025304
BDB025304
|
US11292792, Cmpd # I-65
COc1nccc2c3ccccc3n(C3CCC(=O)NC3=O)c12
|
C17H15N3O3 309.325000 |
TVYQLBCNYFTQLE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547735; PubChem:CID153310483
|
Local ready
Direct docking supported
|
|
E3L025305
BDB025305
|
US11292792, Cmpd # I-66
O=C1CCC(n2c3ccccc3c3scnc32)C(=O)N1
|
C14H11N3O2S 285.328000 |
JAVBYTGNLWEQHR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547736; PubChem:CID153310436
|
Local ready
Direct docking supported
|
|
E3L025306
BDB025306
|
US11292792, Cmpd # I-67
O=C1CCC(n2c3ccccc3c3cncnc32)C(=O)N1
|
C15H12N4O2 280.287000 |
VQSUAUAAFIUPFL-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547737; PubChem:CID153099251
|
Local ready
Direct docking supported
|
|
E3L025307
BDB025307
|
US11292792, Cmpd # I-68
O=C1CCC(n2c3c(c4cccnc42)CN(C(=O)CCCCCCCCO)CC3)C(=O)N1
|
C24H32N4O4 440.544000 |
VGIMJVRUHGWZHN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547738; PubChem:CID153310469
|
Local ready
Direct docking supported
|
|
E3L025308
BDB025308
|
US11292792, Cmpd # I-69
O=C1CCC(n2c3cnccc3c3cccnc32)C(=O)N1
|
C15H12N4O2 280.287000 |
VZGSOGPOIMYWQO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547739; PubChem:CID153144534
|
Local ready
Direct docking supported
|
|
E3L025309
BDB025309
|
US11292792, Cmpd # I-70
O=C1CCC(n2c3c(c4cccnc42)CCCC3)C(=O)N1
|
C16H17N3O2 283.331000 |
XRILWDIOJGTLRP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547740; PubChem:CID153310450
|
Local ready
Direct docking supported
|
|
E3L025310
BDB025310
|
US11292792, Cmpd # I-71
CC(C)(C)OC(=O)NC1CCN(CCc2ccc3c(c2)c2cccnc2n3C2CCC(=O)NC2=O)CC1
|
C28H35N5O4 505.619000 |
PTWWJNVIOCJABF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547741; PubChem:CID151518142
|
Local ready
Direct docking supported
|
|
E3L025311
BDB025311
|
US11292792, Cmpd # I-72
O=C1CCC(n2c3ccccc3c3ccsc32)C(=O)N1
|
C15H12N2O2S 284.340000 |
FGJVVHWKOBFDPC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547742; PubChem:CID147495631
|
Local ready
Direct docking supported
|
|
E3L025312
BDB025312
|
US11292792, Cmpd # I-73
CC(C)(C)OC(=O)NCCOCCOCCCc1ccc2c3ccccc3n(C3CCC(=O)NC3=O)c2n1
|
C28H36N4O6 524.618000 |
RJRICJLOYKCGKW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547743; PubChem:CID146737311
|
Local ready
Direct docking supported
|
|
E3L025313
BDB025313
|
US11292792, Cmpd # I-74
CC(C)(C)OC(=O)NCCOCCOCC#Cc1ccc2c3ccccc3n(C3CCC(=O)NC3=O)c2n1
|
C28H32N4O6 520.586000 |
PWTCMKJGIMHBRB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547744; PubChem:CID148986370
|
Local ready
Direct docking supported
|
|
E3L025314
BDB025314
|
US11292792, Cmpd # I-75
O=C1CCC(n2c3ccccc3c3ccc(Cl)nc32)C(=O)N1
|
C16H12ClN3O2 313.744000 |
SOIQUOQHPKNVGV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547745; PubChem:CID146872185
|
Local ready
Direct docking supported
|
|
E3L025315
BDB025315
|
US11292792, Cmpd # I-76
N#Cc1ccnc2c1c1ccccc1n2C1CCC(=O)NC1=O
|
C17H12N4O2 304.309000 |
AWSKVAONPSDHAU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547746; PubChem:CID147026304
|
Local ready
Direct docking supported
|
|
E3L025316
BDB025316
|
US11292792, Cmpd # I-77
Cc1ccnc2c1c1ccccc1n2C1CCC(=O)NC1=O
|
C17H15N3O2 293.326000 |
BFLCLBYYVQYCEP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547747; PubChem:CID142615665
|
Local ready
Direct docking supported
|
|
E3L025317
BDB025317
|
US11292792, Cmpd # I-78
Nc1ccc2c3ccccc3n(C3CCC(=O)NC3=O)c2n1
|
C16H14N4O2 294.314000 |
KYHDXHXXDKOTJQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547748; PubChem:CID148296316
|
Local ready
Direct docking supported
|
|
E3L025318
BDB025318
|
US11292792, Cmpd # I-79
CNc1ccc2c3ccccc3n(C3CCC(=O)NC3=O)c2n1
|
C17H16N4O2 308.341000 |
USGVEGALDAQZJA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547749; PubChem:CID152058823
|
Local ready
Direct docking supported
|
|
E3L025319
BDB025319
|
US11292792, Cmpd # I-80
CN(C)c1ccc2c3ccccc3n(C3CCC(=O)NC3=O)c2n1
|
C18H18N4O2 322.368000 |
IORXXFBCUZOFPD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547750; PubChem:CID150585260
|
Local ready
Direct docking supported
|
|
E3L025320
BDB025320
|
US11292792, Cmpd # I-81
N#Cc1ccc2c3ccccc3n(C3CCC(=O)NC3=O)c2n1
|
C17H12N4O2 304.309000 |
ONZBQEPGJPEHTB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547751; PubChem:CID148800754
|
Local ready
Direct docking supported
|