| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004261
BDB004261
|
BDBM97038
O=C1CCC(C2Cc3c(ccc4c3OC[C@H]3CN(CC5CC6(CCN(c7ccc([C@@H]8c9ccc(O)cc9OC[C@@H]8c8ccccc8)cn7)CC6)C5)CCN43)C2=O)C(=O)N1
|
C48H51N5O6 793.965000 |
OLIMOMUHMQFDSE-QQCRYIOOSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97038
|
Local ready
Direct docking supported
|
|
E3L004262
BDB004262
|
BDBM97039
O=C1CCC(N2Cc3cc(N4CCN(CC5CC6(CCN(c7ccc([C@@H]8c9ccc(O)cc9OC[C@@H]8c8ccccc8)cn7)CC6)C5)CC4)ccc3C2=O)C(=O)N1
|
C46H50N6O5 766.943000 |
MOXUHRVGVLTQQM-PQGYCHLWSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97039; PubChem:CID170728513
|
Local ready
Direct docking supported
|
|
E3L004263
BDB004263
|
BDBM97040
O=C1CCC(N2Cc3c(ccc4c3OC[C@H]3CN(CC5CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cn6)CC5)CCN43)C2=O)C(=O)N1
|
C44H46N6O6 754.888000 |
SHCBRAIXQDZAEO-ORSCFSODSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97040
|
Local ready
Direct docking supported
|
|
E3L004264
BDB004264
|
BDBM97041
O=C1CCC(N2Cc3cc4c(cc3C2=O)OC[C@@H]2CN(CC3CCN(c5ccc([C@@H]6c7ccc(O)cc7OC[C@@H]6c6ccccc6)cn5)CC3)CCN42)C(=O)N1
|
C44H46N6O6 754.888000 |
KEBZSMMIIUEDLD-RFGNXMANSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97041
|
Local ready
Direct docking supported
|
|
E3L004265
BDB004265
|
BDBM97042
O=C1CCC(N2Cc3cc4c(cc3C2=O)OCC42CCN(CC3CC4(CCN(c5ccc([C@@H]6c7ccc(O)cc7OC[C@@H]6c6ccccc6)cc5)CC4)C3)CC2)C(=O)N1
|
C49H52N4O6 792.977000 |
SFYAXZBCMIFZJQ-MOXUSUNVSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97042
|
Local ready
Direct docking supported
|
|
E3L004266
BDB004266
|
BDBM97043
O=C1CCC(Nc2ccc(C3CCN(CC4CCN(c5ccc([C@@H]6c7ccc(O)cc7OC[C@@H]6c6ccccc6)cc5)CC4)CC3)c(F)c2)C(=O)N1
|
C43H47FN4O4 702.871000 |
NZYGULYNVUCXSA-WWPPPDGHSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97043; PubChem:CID170728542
|
Local ready
Direct docking supported
|
|
E3L004267
BDB004267
|
BDBM97044
Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C3CCN(CC4CC5(CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)C4)CC3)cc21
|
C48H53N5O5 779.982000 |
TTXQEPBKOMFPPO-MOXUSUNVSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97044
|
Local ready
Direct docking supported
|
|
E3L004268
BDB004268
|
BDBM97045
COc1cc(N2CCC(CN3CCN4c5cc6c(cc5OC[C@H]4C3)C(=O)N(C3CCC(=O)NC3=O)C6)CC2)ccc1[C@H]1c2ccc(O)cc2OC[C@H]1c1ccccc1
|
C46H49N5O7 783.926000 |
FAZUJCHEBBDOGY-SPRQMXDHSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97045
|
Local ready
Direct docking supported
|
|
E3L004269
BDB004269
|
BDBM97046
O=C1CCC(Nc2ccc(C3CCN(CC4CC5(CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)C4)CC3)c(F)c2)C(=O)N1
|
C46H51FN4O4 742.936000 |
SRLBCPOYBLDFED-CFRYPWGGSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97046; PubChem:CID177910036
|
Local ready
Direct docking supported
|
|
E3L004270
BDB004270
|
BDBM97047
COc1cc(N2CCC(CN3CCN4c5ccc6c(c5OC[C@H]4C3)CN(C3CCC(=O)NC3=O)C6=O)CC2)ccc1[C@H]1c2ccc(O)cc2OC[C@H]1c1ccccc1
|
C46H49N5O7 783.926000 |
KFOQSSLNXOAYPF-BUMAWVLGSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97047
|
Local ready
Direct docking supported
|
|
E3L004271
BDB004271
|
BDBM97048
COc1cc(N2CCC(CN3CCN4c5ccc6c(c5OC[C@H]4C3)CN(C3CCC(=O)NC3=O)C6=O)CC2)ccc1[C@@H]1c2ccc(O)cc2OC[C@@H]1c1ccccc1
|
C46H49N5O7 783.926000 |
KFOQSSLNXOAYPF-SWZYOBMISA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97048
|
Local ready
Direct docking supported
|
|
E3L004272
BDB004272
|
BDBM97049
O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(C(=O)C2CCN(C3CCN(c5ccc([C@H]6c7ccc(O)cc7OC[C@H]6c6ccccc6)cc5)CC3)CC2)C4)C(=O)N1
|
C47H47N5O7 793.921000 |
TVPBIAGVNCZHCY-MUNASVJRSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97049
|
Local ready
Direct docking supported
|
|
E3L004273
BDB004273
|
BDBM97050
O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(C(=O)C2CCN(C3CCN(c5ccc([C@@H]6c7ccc(O)cc7OC[C@@H]6c6ccccc6)cc5)CC3)CC2)C4)C(=O)N1
|
C47H47N5O7 793.921000 |
TVPBIAGVNCZHCY-HWUAAHNXSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97050
|
Local ready
Direct docking supported
|
|
E3L004274
BDB004274
|
BDBM97051
O=C1CCC(N2Cc3cc4c(cc3C2=O)CN(C(=O)C2CCN(C3CCN(c5ccc([C@H]6c7ccc(O)cc7OC[C@H]6c6ccccc6)cc5)CC3)CC2)C4)C(=O)N1
|
C47H49N5O6 779.938000 |
YJWSVXDJVCMWPI-FRYWYHBDSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97051
|
Local ready
Direct docking supported
|
|
E3L004275
BDB004275
|
BDBM97052
O=C1CCC(N2Cc3cc4c(cc3C2=O)CN(C(=O)C2CCN(C3CCN(c5ccc([C@@H]6c7ccc(O)cc7OC[C@@H]6c6ccccc6)cc5)CC3)CC2)C4)C(=O)N1
|
C47H49N5O6 779.938000 |
YJWSVXDJVCMWPI-GFBXGUEKSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97052
|
Local ready
Direct docking supported
|
|
E3L004276
BDB004276
|
BDBM97053
O=C1CCN(c2ccc(N3CCN(CC4CCN(c5ccc([C@@H]6c7ccc(O)cc7OC[C@@H]6c6ccccc6)cc5)CC4)CC3)cc2)C(=O)N1
|
C41H45N5O4 671.842000 |
MYAPPUHZKDMOPF-PILPWRDFSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97053; PubChem:CID170728498
|
Local ready
Direct docking supported
|
|
E3L004277
BDB004277
|
BDBM97054
O=C1CCN(c2ccc(N3CCN(CC4CC5(CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)C4)CC3)cc2)C(=O)N1
|
C44H49N5O4 711.907000 |
OIYBINNRJUPUDP-OLBRMRTOSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97054; PubChem:CID170728433
|
Local ready
Direct docking supported
|
|
E3L004278
BDB004278
|
BDBM97055
COc1cc(N2CCC(CN3CCN4c5cc6c(cc5OC[C@H]4C3)C(=O)N(C3CCC(=O)NC3=O)C6)CC2)ccc1[C@@H]1c2ccc(O)cc2OC[C@@H]1c1ccccc1
|
C46H49N5O7 783.926000 |
FAZUJCHEBBDOGY-PYRBEPRFSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97055
|
Local ready
Direct docking supported
|
|
E3L004279
BDB004279
|
BDBM97056
O=C1CCC(NC(=O)c2ccc(N3CCN(CC4CC5(CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)C4)CC3)cn2)C(=O)N1
|
C45H50N6O5 754.932000 |
JHQMFIGTTHYJPH-WWPPPDGHSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97056; PubChem:CID170728391
|
Local ready
Direct docking supported
|
|
E3L004280
BDB004280
|
BDBM97057
O=C1CCC(N2Cc3cc4c(cc3C2=O)OCC42CCN(CC3CCN(c4ccc([C@@H]5c6ccc(O)cc6OC[C@@H]5c5ccccc5)cc4)CC3)CC2)C(=O)N1
|
C46H48N4O6 752.912000 |
UQHDAZNEGXGRDX-JJODOLRASA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97057
|
Local ready
Direct docking supported
|