| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L040581
BDB040581
|
BDBM761238
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cc(C(F)(F)F)on1
|
C20H18Cl2F3N3O4 492.281000 |
KKKOPGUZUJEXNT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761238; PubChem:CID176157440
|
Local ready
Direct docking supported
|
|
E3L040582
BDB040582
|
BDBM761239
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ncc(CO)cn1
|
C21H22Cl2N4O4 465.337000 |
LSUJPOWTHDAXOQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761239; PubChem:CID176157295
|
Local ready
Direct docking supported
|
|
E3L040583
BDB040583
|
BDBM761240
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cnc(C2CC2)cn1
|
C23H24Cl2N4O3 475.376000 |
GGBHOIGPVORJLJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761240; PubChem:CID176846925
|
Local ready
Direct docking supported
|
|
E3L040584
BDB040584
|
BDBM761241
COCc1nc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)ncc1C
|
C23H26Cl2N4O4 493.391000 |
UMCFHRMAXJRNME-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761241; PubChem:CID176157685
|
Local ready
Direct docking supported
|
|
E3L040585
BDB040585
|
BDBM761242
CCOc1cnc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cn1
|
C22H24Cl2N4O4 479.364000 |
RMECAVZMLGDGTR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761242; PubChem:CID176157291
|
Local ready
Direct docking supported
|
|
E3L040586
BDB040586
|
BDBM761243
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ncc(C(=O)O)cn1
|
C21H20Cl2N4O5 479.320000 |
CYDQAIUXEQPJPF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761243; PubChem:CID176157509
|
Local ready
Direct docking supported
|
|
E3L040587
BDB040587
|
BDBM761244
Cc1ocnc1C(C)(C)C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1
|
C20H21Cl2N3O4 438.311000 |
ZHLJESIGUZBADD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761244; PubChem:CID176846835
|
Local ready
Direct docking supported
|
|
E3L040588
BDB040588
|
BDBM761245
[2H]C([2H])([2H])C(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)(c1ncc(C)cn1)C([2H])([2H])[2H]
|
C21H22Cl2N4O3 455.374611 |
VKROEWYACWPSOG-XERRXZQWSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761245; PubChem:CID176846806
|
Local ready
Direct docking supported
|
|
E3L040589
BDB040589
|
BDBM761246
CC(C)(O)c1cnc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cn1
|
C23H26Cl2N4O4 493.391000 |
XLVWNQVYRDQLSE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761246; PubChem:CID176157445
|
Local ready
Direct docking supported
|
|
E3L040590
BDB040590
|
BDBM761247
Cc1nc(CNC(=O)C(C)(C)c2ccccc2)cc(Cl)c1C1CCC(=O)NC1=O
|
C22H24ClN3O3 413.905000 |
HZRZLKDTLLGFCD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761247; PubChem:CID176157303
|
Local ready
Direct docking supported
|
|
E3L040591
BDB040591
|
BDBM761248
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cnc(CC(F)F)cn1
|
C22H22Cl2F2N4O3 499.345000 |
LWSSSFKFEILWFP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761248; PubChem:CID176846760
|
Local ready
Direct docking supported
|
|
E3L040592
BDB040592
|
BDBM761249
Cc1cnc(C(C)(CO)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)nc1
|
C21H22Cl2N4O4 465.337000 |
AQSAMGJAVZWHNR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761249; PubChem:CID176157374
|
Local ready
Direct docking supported
|
|
E3L040593
BDB040593
|
BDBM761250
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(C#N)c1)c1ccccc1
|
C23H22ClN3O3 423.900000 |
QCENMOXMAIFPJW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761250; PubChem:CID176157513
|
Local ready
Direct docking supported
|
|
E3L040594
BDB040594
|
BDBM761251
Cc1cnc(C(C)(C)C(=O)NCc2cc(Cl)c([C@]3(F)CCC(=O)NC3=O)c(Cl)c2)nc1
|
C21H21Cl2FN4O3 467.328000 |
FJRYVLWLBRQAID-OAQYLSRUSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761251; PubChem:CID176846919
|
Local ready
Direct docking supported
|
|
E3L040595
BDB040595
|
BDBM761252
Cc1cnc(C(C)(C)C(=O)NCc2cc(Cl)c([C@@]3(F)CCC(=O)NC3=O)c(Cl)c2)nc1
|
C21H21Cl2FN4O3 467.328000 |
FJRYVLWLBRQAID-NRFANRHFSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761252; PubChem:CID176846840
|
Local ready
Direct docking supported
|
|
E3L040596
BDB040596
|
BDBM761253
COCCc1cnc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)nc1
|
C23H26Cl2N4O4 493.391000 |
TUIZEFOJJDOJKI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761253; PubChem:CID176157529
|
Local ready
Direct docking supported
|
|
E3L040597
BDB040597
|
BDBM761254
CC(C)(C(=O)NCc1ccc(C2CCC(=O)NC2=O)c(Cl)c1)c1nc2ccccc2o1
|
C23H22ClN3O4 439.899000 |
AUOIQJKNNASMHF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761254; PubChem:CID176157317
|
Local ready
Direct docking supported
|
|
E3L040598
BDB040598
|
BDBM761255
CCc1cnc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cn1
|
C22H24Cl2N4O3 463.365000 |
FBQSABZBOHJJGM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761255; PubChem:CID176157488
|
Local ready
Direct docking supported
|
|
E3L040599
BDB040599
|
BDBM761256
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cnc(Cl)cn1
|
C20H19Cl3N4O3 469.756000 |
GWLJVDXPNKMYRR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761256; PubChem:CID176846839
|
Local ready
Direct docking supported
|
|
E3L040600
BDB040600
|
BDBM761257
CC(C)(C(=O)NCc1cc(F)c(C2CCC(=O)NC2=O)c(Cl)c1)c1nc2ccccc2o1
|
C23H21ClFN3O4 457.889000 |
WISIPSCBJOYTLU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761257; PubChem:CID176846758
|
Local ready
Direct docking supported
|