| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008301
BDB008301
|
BDBM206006
COc1cc(N2CCC(CN3CCN4c5ccc6c(c5OC[C@@H]4C3)CN([C@H]3CCC(=O)NC3=O)C6=O)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C45H51F2N7O5 807.943000 |
WJHSKRHFCXEXIR-NEOCNPILSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206006
|
Local ready
Direct docking supported
|
|
E3L008302
BDB008302
|
BDBM206007
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3C[C@@H]4[C@H](CN5CCN6c7cc8c(cc7OC[C@@H]6C5)C(=O)N([C@H]5CCC(=O)NC5=O)C8)[C@@H]4C3)nc2)N1CC(C)(C)F
|
C44H50FN9O4 787.941000 |
BIFISHBUJGWIFX-LRLUOINQSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206007
|
Local ready
Direct docking supported
|
|
E3L008303
BDB008303
|
BDBM206008
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CC[C@@H](CN4CCN5c6ccc7c(c6OC[C@@H]5C4)CN(C4CCC(=O)NC4=O)C7=O)C3)nc2)N1CC(F)F
|
C41H45F2N9O4 765.866000 |
KATCQWWFAUCYKO-JKAIRVTPSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206008
|
Local ready
Direct docking supported
|
|
E3L008304
BDB008304
|
BDBM206009
Cc1nn(C2CCC(=O)NC2=O)c2ccc(N3CCN(CC4CC5(CCN(c6ncc([C@@H]7c8[nH]c9ccccc9c8C[C@@H](C)N7CC(C)(C)F)cn6)CC5)C4)CC3)cc12
|
C46H57FN10O2 801.028000 |
KFHQKFNJAIXWFY-VJGGAGPQSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206009
|
Local ready
Direct docking supported
|
|
E3L008305
BDB008305
|
BDBM206010
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCC4(CC3)CC(CN3CCN(c5ccc(NC6CCC(=O)NC6=O)cc5F)CC3)C4)nc2)N1CC(F)F
|
C42H50F3N9O2 769.917000 |
XYQYHNIPYWHJGY-NKYNZVQDSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206010
|
Local ready
Direct docking supported
|
|
E3L008306
BDB008306
|
BDBM206011
CS(=O)(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(N2CCC(CN3CCN4c5cc6c(cc5OC[C@@H]4C3)C(=O)N([C@H]3CCC(=O)NC3=O)C6)CC2)cc1F
|
C42H45F2N7O6S 813.928000 |
MACVXTSHPDAXKN-VIZISLCESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206011
|
Local ready
Direct docking supported
|
|
E3L008307
BDB008307
|
BDBM206012
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(O[C@H]3C[C@H](C(=O)N4CCC(N5Cc6cc7c(cc6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C3)nc2)N1CC(F)F
|
C43H44F2N8O6 806.871000 |
FHAJPMJPKQQHFW-PLBJPVANSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206012
|
Local ready
Direct docking supported
|
|
E3L008308
BDB008308
|
BDBM206013
COc1cc(N2CCC(CN3CCN4c5ccc6c(c5OC[C@H]4C3)CN([C@H]3CCC(=O)NC3=O)C6=O)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C45H51F2N7O5 807.943000 |
WJHSKRHFCXEXIR-OEVCKZHISA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206013
|
Local ready
Direct docking supported
|
|
E3L008309
BDB008309
|
BDBM206014
CS(=O)(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1c1c(F)cc(N2CCC3(CCN(C(=O)CN4Cc5cc6c(cc5C4)C(=O)N(C4CCC(=O)NC4=O)C6=O)CC3)CC2)cc1F
|
C44H45F2N7O7S 853.949000 |
HMZUJNRCPPDGMM-VPGCJYKLSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206014
|
Local ready
Direct docking supported
|
|
E3L008310
BDB008310
|
BDBM206015
CS(=O)(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(N2CCC3(CCN(C(=O)CN4Cc5cc6c(cc5C4)C(=O)N(C4CCC(=O)NC4=O)C6=O)CC3)CC2)cc1F
|
C44H45F2N7O7S 853.949000 |
HMZUJNRCPPDGMM-FQRIYGLTSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206015
|
Local ready
Direct docking supported
|
|
E3L008311
BDB008311
|
BDBM206016
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCO[C@H](CN4CCN5c6cc7c(cc6OC[C@@H]5C4)C(=O)N(C4CCC(=O)NC4=O)C7)C3)nc2)N1CC(C)(C)F
|
C43H50FN9O5 791.929000 |
WRXACWYBFQONAH-RGWXSXPOSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206016
|
Local ready
Direct docking supported
|
|
E3L008312
BDB008312
|
BDBM206017
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(N3CCC(CN4CCN5c6ccc7c(c6OC[C@@H]5C4)CN([C@H]4CCC(=O)NC4=O)C7=O)CC3)nc2)N1CC(F)F
|
C43H48F2N8O4 778.905000 |
VIVOSFZQNRSSSP-DNZCBYJSSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206017
|
Local ready
Direct docking supported
|
|
E3L008313
BDB008313
|
BDBM206018
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(N3CCC4(CC3)CC(CN3CCN5c6ccc7c(c6OC[C@@H]5C3)CN([C@H]3CCC(=O)NC3=O)C7=O)C4)nc2)N1CC(F)F
|
C46H52F2N8O4 818.970000 |
XEFLIBOIERQNRA-ALNPCENLSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206018
|
Local ready
Direct docking supported
|
|
E3L008314
BDB008314
|
BDBM206019
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc([C@H]3CC[C@H](C(=O)N4CCC(N5Cc6cc7c(cc6C5)C(=O)N(C5CCC(=O)NC5=O)C7)CC4)CC3)nc2)N1CC(F)F
|
C45H50F2N8O4 804.943000 |
QEDOMBSYBFJQCW-GMMWTXKWSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206019
|
Local ready
Direct docking supported
|
|
E3L008315
BDB008315
|
BDBM206020
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCC4(CC3)CC(CN3CCC5(CC3)COc3cc6c(cc35)CN(C3CCC(=O)NC3=O)C6=O)C4)nc2)N1CCF
|
C46H53FN8O4 800.980000 |
VGDIUYRUDQZFIG-NOWDGLCSSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206020
|
Local ready
Direct docking supported
|
|
E3L008316
BDB008316
|
BDBM206021
COc1cc(N2CCC3(CCN(C(=O)CN4Cc5cc6c(cc5C4)C(=O)N(C4CCC(=O)NC4=O)C6=O)CC3)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C47H51F2N7O6 847.964000 |
CVBVXFWOFNDQRT-VPTXLVNASA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206021
|
Local ready
Direct docking supported
|
|
E3L008317
BDB008317
|
BDBM206022
COc1cc(N2CCC(CN3CCN4c5cc6c(cc5OC[C@@H]4C3)C(=O)N([C@H]3CCC(=O)NC3=O)C6)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C45H51F2N7O5 807.943000 |
ZHTPIQFRAPUAAQ-HQUGNELRSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206022
|
Local ready
Direct docking supported
|
|
E3L008318
BDB008318
|
BDBM206023
COc1cc(N2CCC(CN3CCN4c5cc6c(cc5OC[C@@H]4C3)C(=O)N([C@H]3CCC(=O)NC3=O)C6)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C45H51F2N7O5 807.943000 |
ZHTPIQFRAPUAAQ-HQUGNELRSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206023
|
Local ready
Direct docking supported
|
|
E3L008319
BDB008319
|
BDBM206024
COc1cc(N2CCC(CN3CCN4c5cc(F)c(C(=O)N[C@H]6CCC(=O)NC6=O)cc5OC[C@@H]4C3)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C44H50F3N7O5 813.922000 |
XYUGKDSHQAEBLF-VXCHSHNASA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206024
|
Local ready
Direct docking supported
|
|
E3L008320
BDB008320
|
BDBM206025
COc1cc(N2CCC(CN3CCN(c4ccc(NC5CCC(=O)NC5=O)cc4F)CC3)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C42H50F3N7O3 757.902000 |
HPHUKWYNBMSJEN-WCHUVLJBSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206025
|
Local ready
Direct docking supported
|