| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004341
BDB004341
|
BDBM97119
COc1cc(N2CCC(CN3CCC(c4ccc(N[C@@H]5CCC(=O)NC5=O)cc4)CC3)CC2)ccc1[C@H]1c2ccc(O)cc2OC[C@H]1c1ccccc1
|
C44H50N4O5 714.907000 |
OMYSZRUHIMRJIW-SEMJGQCXSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97119; PubChem:CID170728616
|
Local ready
Direct docking supported
|
|
E3L004342
BDB004342
|
BDBM97120
COc1cc(N2CCC(CN3CCC(c4ccc(N[C@@H]5CCC(=O)NC5=O)cc4)CC3)CC2)ccc1[C@@H]1c2ccc(O)cc2OC[C@@H]1c1ccccc1
|
C44H50N4O5 714.907000 |
OMYSZRUHIMRJIW-KJSNRZPDSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97120; PubChem:CID177909922
|
Local ready
Direct docking supported
|
|
E3L004343
BDB004343
|
BDBM97121
O=C1CC[C@@H](N2Cc3cc4c(cc3C2=O)OC[C@@H]2CN(CC3COC5(CCN(c6ccc([C@H]7c8ccc(O)cc8OC[C@H]7c7ccccc7)cc6)CC5)C3)CCN42)C(=O)N1
|
C48H51N5O7 809.964000 |
NEVLLZDNWSSISS-RPOUOCKOSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97121
|
Local ready
Direct docking supported
|
|
E3L004344
BDB004344
|
BDBM97122
O=C1CC[C@@H](N2Cc3cc4c(cc3C2=O)OC[C@@H]2CN(CC3COC5(CCN(c6ccc([C@H]7c8ccc(O)cc8OC[C@H]7c7ccccc7)cc6)CC5)C3)CCN42)C(=O)N1
|
C48H51N5O7 809.964000 |
NEVLLZDNWSSISS-RPOUOCKOSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97122
|
Local ready
Direct docking supported
|
|
E3L004345
BDB004345
|
BDBM97123
O=C1CC[C@@H](N2Cc3cc4c(cc3C2=O)OCC42CCN(CC3CCC4(CC3)CN(c3ccc([C@H]5c6ccc(O)cc6OC[C@H]5c5ccccc5)cc3)C4)CC2)C(=O)N1
|
C49H52N4O6 792.977000 |
CMWAKGDTWQNPJP-JFHJMZQNSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97123
|
Local ready
Direct docking supported
|
|
E3L004346
BDB004346
|
BDBM97124
O=C1CC[C@@H](N2Cc3c(ccc4c3OCC43CCN(CC4CCC5(CC4)CN(c4ccc([C@H]6c7ccc(O)cc7OC[C@H]6c6ccccc6)cc4)C5)CC3)C2=O)C(=O)N1
|
C49H52N4O6 792.977000 |
BPZMDXPICADHQA-WXDPHDKQSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97124
|
Local ready
Direct docking supported
|
|
E3L004347
BDB004347
|
BDBM97125
O=C1CC[C@@H](N2Cc3c(ccc4c3OC[C@@H]3CN(CC5COC6(CCN(c7ccc([C@H]8c9ccc(O)cc9OC[C@H]8c8ccccc8)cc7F)CC6)C5)CCN43)C2=O)C(=O)N1
|
C48H50FN5O7 827.954000 |
SSDFPGXZLUALMG-HWYOMGLQSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97125
|
Local ready
Direct docking supported
|
|
E3L004348
BDB004348
|
BDBM97126
O=C1CCC(Nc2ccc(C34CCN(CC5COC6(CCN(c7ccc([C@H]8c9ccc(O)cc9OC[C@H]8c8ccccc8)cc7F)CC6)C5)CC3C4(F)F)cc2)C(=O)N1
|
C47H49F3N4O5 806.926000 |
PCPLPJSUDQZZKV-RMHJHQCHSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97126
|
Local ready
Direct docking supported
|
|
E3L004349
BDB004349
|
BDBM97127
O=C1CC[C@H](N2Cc3c(ccc4c3OC[C@H]3CN(C[C@@H]5COC6(CCN(c7ccc([C@@H]8c9ccc(O)cc9OC[C@@H]8c8ccccc8)cc7F)CC6)C5)CCN43)C2=O)C(=O)N1
|
C48H50FN5O7 827.954000 |
SSDFPGXZLUALMG-QTQBPFRSSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97127
|
Local ready
Direct docking supported
|
|
E3L004350
BDB004350
|
BDBM97128
O=C1CC[C@@H](N2Cc3c(ccc4c3OC[C@@H]3CN(CC5COC6(CCN(c7ccc([C@@H]8c9ccc(O)cc9OC[C@@H]8c8ccccc8)cc7F)CC6)C5)CCN43)C2=O)C(=O)N1
|
C48H50FN5O7 827.954000 |
SSDFPGXZLUALMG-MLERUBJJSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97128
|
Local ready
Direct docking supported
|
|
E3L004351
BDB004351
|
BDBM97129
O=C1CCC(Nc2ccc(C34CCN(CC5COC6(CCN(c7ccc([C@@H]8c9ccc(O)cc9OC[C@@H]8c8ccccc8)cc7F)CC6)C5)CC3C4(F)F)cc2)C(=O)N1
|
C47H49F3N4O5 806.926000 |
PCPLPJSUDQZZKV-HSZZAMHWSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97129
|
Local ready
Direct docking supported
|
|
E3L004352
BDB004352
|
BDBM97130
O=C1CC[C@@H](N2Cc3cc4c(cc3C2=O)OC[C@H]2CN(CC3COC5(CCN(c6ccc([C@H]7c8ccc(O)cc8OC[C@H]7c7ccccc7)cc6F)CC5)C3)CCN42)C(=O)N1
|
C48H50FN5O7 827.954000 |
YSYNVCGWDVPFCV-NHWXWDGNSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97130
|
Local ready
Direct docking supported
|
|
E3L004353
BDB004353
|
BDBM97131
O=C1CC[C@H](N2Cc3cc4c(cc3C2)N2CCN(CC3COC5(CCN(c6ccc([C@H]7c8ccc(O)cc8OC[C@H]7c7ccccc7)cc6F)CC5)C3)C[C@H]2CO4)C(=O)N1
|
C48H52FN5O6 813.971000 |
WHMXQPDCLNVNDS-UGHUSWPTSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97131
|
Local ready
Direct docking supported
|
|
E3L004354
BDB004354
|
BDBM97132
O=C1CC[C@@H](Nc2ccc(C3CCN(C[C@@H]4COC5(CCN(c6ccc([C@H]7c8ccc(O)cc8OC[C@H]7c7ccccc7)cc6)CC5)C4)CC3)c(F)c2)C(=O)N1
|
C46H51FN4O5 758.935000 |
SCTCXOJSOHBDIH-LRMBOURGSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97132
|
Local ready
Direct docking supported
|
|
E3L004355
BDB004355
|
BDBM97133
O=C1CC[C@@H](Nc2ccc(C3CCN(C[C@H]4COC5(CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)C4)CC3)c(F)c2)C(=O)N1
|
C46H51FN4O5 758.935000 |
SCTCXOJSOHBDIH-TXGROREDSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97133
|
Local ready
Direct docking supported
|
|
E3L004356
BDB004356
|
BDBM97134
O=C1CC[C@@H](Nc2ccc(C3CCN(C[C@H]4COC5(CCN(c6ccc([C@H]7c8ccc(O)cc8OC[C@H]7c7ccccc7)cc6)CC5)C4)CC3)c(F)c2)C(=O)N1
|
C46H51FN4O5 758.935000 |
SCTCXOJSOHBDIH-CJVMMOKMSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97134
|
Local ready
Direct docking supported
|
|
E3L004357
BDB004357
|
BDBM97135
O=C1CC[C@@H](Nc2ccc(C3CCN(C[C@@H]4COC5(CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)C4)CC3)c(F)c2)C(=O)N1
|
C46H51FN4O5 758.935000 |
SCTCXOJSOHBDIH-NBZVTWQQSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97135; PubChem:CID178289736
|
Local ready
Direct docking supported
|
|
E3L004358
BDB004358
|
BDBM97555
CC(C)N1CCN(Cc2ccc3c(c2)-c2n[nH]c(=O)c4cccc(c24)O3)CC1
|
C22H24N4O2 376.460000 |
CDIRTVSDQUAEOU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM97555; PubChem:CID11349384
|
Local ready
Direct docking supported
|
|
E3L004359
BDB004359
|
BDBM97556
COCCN1CCN(Cc2ccc3c(c2)-c2n[nH]c(=O)c4cccc(c24)O3)CC1
|
C22H24N4O3 392.459000 |
QAVOZOQGAIMEKT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM97556; PubChem:CID11338344
|
Local ready
Direct docking supported
|
|
E3L004360
BDB004360
|
BDBM97557
O=c1[nH]nc2c3c(cccc13)Oc1ccc(CN3CCN(c4ncccn4)CC3)cc1-2
|
C23H20N6O2 412.453000 |
CSHNTDMZZIAXST-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM97557; PubChem:CID11154155
|
Local ready
Direct docking supported
|