| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L025321
BDB025321
|
US11292792, Cmpd # I-82
COc1ccc2c3ccccc3n(C3CCC(=O)NC3=O)c2n1
|
C17H15N3O3 309.325000 |
IMFUTVGKWOXACT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547752; PubChem:CID153310520
|
Local ready
Direct docking supported
|
|
E3L025322
BDB025322
|
US11292792, Cmpd # I-83
O=C1CCC(n2c3ccccc3c3ccc(O)nc32)C(=O)N1
|
C16H13N3O3 295.298000 |
WCDAVOAKLSRBGI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547753; PubChem:CID152235123
|
Local ready
Direct docking supported
|
|
E3L025323
BDB025323
|
US11292792, Cmpd # I-84
O=C1CCC(n2c3ccccc3c3ccc(F)nc32)C(=O)N1
|
C16H12FN3O2 297.289000 |
WPAUIVPIALWPBN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547754; PubChem:CID153310418
|
Local ready
Direct docking supported
|
|
E3L025324
BDB025324
|
BDBM547755
O=C1CCC(n2c3ccccc3c3ccc(C(F)(F)F)nc32)C(=O)N1
|
C17H12F3N3O2 347.296000 |
PZULGNXWYVWQRV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547755; PubChem:CID153310527
|
Local ready
Direct docking supported
|
|
E3L025325
BDB025325
|
US11292792, Cmpd # I-86
Cc1ccc2c3ccccc3n(C3CCC(=O)NC3=O)c2n1
|
C17H15N3O2 293.326000 |
MUDCRJGTMPSNME-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547756; PubChem:CID151130610
|
Local ready
Direct docking supported
|
|
E3L025326
BDB025326
|
US11292792, Cmpd # I-87
O=C1CCC(n2c3ccccc3c3ncsc32)C(=O)N1
|
C14H11N3O2S 285.328000 |
NYTZRAGYBSCSBJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547757; PubChem:CID153310457
|
Local ready
Direct docking supported
|
|
E3L025327
BDB025327
|
US11292792, Cmpd # I-88
O=C1CCC(n2c3ccc(Br)cc3c3ccsc32)C(=O)N1
|
C15H11BrN2O2S 363.236000 |
UJDQGWLOXCTEHJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547758; PubChem:CID153310508
|
Local ready
Direct docking supported
|
|
E3L025328
BDB025328
|
US11292792, Cmpd # I-89
O=C1CCC(n2c3ccccc3c3c(Br)csc32)C(=O)N1
|
C15H11BrN2O2S 363.236000 |
RHRVSRVQYQQXRB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547759; PubChem:CID149140685
|
Local ready
Direct docking supported
|
|
E3L025329
BDB025329
|
US11292792, Cmpd # I-90
CC(=O)Nc1ccc2c3ccccc3n(C3CCC(=O)NC3=O)c2n1
|
C18H16N4O3 336.351000 |
LYIYWZRTLQVENK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547760; PubChem:CID151022415
|
Local ready
Direct docking supported
|
|
E3L025330
BDB025330
|
US11292792, Cmpd # I-91
NCc1ccc2c3ccccc3n(C3CCC(=O)NC3=O)c2n1
|
C17H16N4O2 308.341000 |
XWFRRVWBOAGFII-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547761; PubChem:CID149298267
|
Local ready
Direct docking supported
|
|
E3L025331
BDB025331
|
US11292792, Cmpd # I-92
O=C1CCC(n2c3ccc(Br)cc3c3ccc(F)nc32)C(=O)N1
|
C16H11BrFN3O2 376.185000 |
GHLPXKVZWYZSQQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547762; PubChem:CID150290341
|
Local ready
Direct docking supported
|
|
E3L025332
BDB025332
|
US11292792, Cmpd # I-93
O=C1CCC(n2c3ccccc3c3c(Cl)csc32)C(=O)N1
|
C15H11ClN2O2S 318.785000 |
VDRPXVDFNJQSLU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547763; PubChem:CID152113304
|
Local ready
Direct docking supported
|
|
E3L025333
BDB025333
|
US11292792, Cmpd # I-94
O=C1CCC(n2ccn3c4ccccc4nc23)C(=O)N1
|
C14H12N4O2 268.276000 |
GZJJHSYIBOTFJG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547764; PubChem:CID153310417
|
Local ready
Direct docking supported
|
|
E3L025334
BDB025334
|
US11292792, Cmpd # I-99
O=C1CCC(n2c3ccccc3n3ccnc23)C(=O)N1
|
C14H12N4O2 268.276000 |
IWRKCKJVIQDQDP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547765; PubChem:CID153310429
|
Local ready
Direct docking supported
|
|
E3L025335
BDB025335
|
US11292792, Cmpd # I-100
O=C1CCC(n2c3cccc(F)c3c3cccnc32)C(=O)N1
|
C16H12FN3O2 297.289000 |
UENFHCFOYXFUKD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547766; PubChem:CID153310498
|
Local ready
Direct docking supported
|
|
E3L025336
BDB025336
|
US11292792, Cmpd # I-101
O=C1CCC(n2c3cc(F)ccc3c3cccnc32)C(=O)N1
|
C16H12FN3O2 297.289000 |
IOLPURXKSJGIPK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547767; PubChem:CID153310486
|
Local ready
Direct docking supported
|
|
E3L025337
BDB025337
|
US11292792, Cmpd # I-102
O=C1CCC(n2c3cc(Br)ccc3c3cccnc32)C(=O)N1
|
C16H12BrN3O2 358.195000 |
HFHKKXQGEYYMBR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547768; PubChem:CID138694514
|
Local ready
Direct docking supported
|
|
E3L025338
BDB025338
|
US11292792, Cmpd # I-103
O=C1CCC(n2c3cccc(Br)c3c3ccsc32)C(=O)N1
|
C15H11BrN2O2S 363.236000 |
UYUPKPUIFMFKFG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547769; PubChem:CID152091459
|
Local ready
Direct docking supported
|
|
E3L025339
BDB025339
|
US11292792, Cmpd # I-105
O=C1CCC(n2c3ccccc3c3ccnc(O)c32)C(=O)N1
|
C16H13N3O3 295.298000 |
MXVOXRDYHRNSFK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547770; PubChem:CID153310448
|
Local ready
Direct docking supported
|
|
E3L025340
BDB025340
|
US11292792, Cmpd # I-106
O=C1CCC(n2c3cc(Cl)ccc3c3cccnc32)C(=O)N1
|
C16H12ClN3O2 313.744000 |
SXSUZJDEZNZCKM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547771; PubChem:CID151925838
|
Local ready
Direct docking supported
|