| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004321
BDB004321
|
BDBM97099
O=C1CCC(NC(=O)c2ccc(N3CCC(CN4CCN(c5ccc([C@H]6c7ccc(O)cc7OC[C@H]6c6ccccc6)cc5)CC4)CC3)cn2)C(=O)N1
|
C42H46N6O5 714.867000 |
SAHKNDRITROFCC-KKNODEMTSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97099; PubChem:CID170728479
|
Local ready
Direct docking supported
|
|
E3L004322
BDB004322
|
BDBM97100
O=C1CCC(NC(=O)c2ccc(N3CCC(CN4CCN(c5ccc([C@H]6c7ccc(O)cc7OC[C@H]6c6ccccc6)cc5)CC4)CC3)cn2)C(=O)N1
|
C42H46N6O5 714.867000 |
SAHKNDRITROFCC-KKNODEMTSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97100; PubChem:CID170728479
|
Local ready
Direct docking supported
|
|
E3L004323
BDB004323
|
BDBM97101
COc1cc(N2CCC3(CC2)CC(CN2CCC4(CC2)COc2c4ccc4c2CN(C2CCC(=O)NC2=O)C4=O)C3)c(F)cc1[C@H]1c2ccc(O)cc2OC[C@H]1c1ccccc1
|
C50H53FN4O7 840.993000 |
STVVTUOREOYWID-KJCJHXACSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97101
|
Local ready
Direct docking supported
|
|
E3L004324
BDB004324
|
BDBM97102
COc1cc(N2CCC3(CC2)CC(CN2CCC4(CC2)COc2c4ccc4c2CN(C2CCC(=O)NC2=O)C4=O)C3)c(F)cc1[C@H]1c2ccc(O)cc2OC[C@H]1c1ccccc1
|
C50H53FN4O7 840.993000 |
STVVTUOREOYWID-KJCJHXACSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97102
|
Local ready
Direct docking supported
|
|
E3L004325
BDB004325
|
BDBM97103
O=C1CC[C@@H](N2Cc3c(ccc4c3OC[C@@H]3CN(C[C@@H]5COC6(CCN(c7ccc([C@H]8c9ccc(O)cc9OC[C@H]8c8ccccc8)cc7)CC6)C5)CCN43)C2=O)C(=O)N1
|
C48H51N5O7 809.964000 |
NGKUCSTXXZJYFQ-NDPDFARVSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97103
|
Local ready
Direct docking supported
|
|
E3L004326
BDB004326
|
BDBM97104
O=C1CC[C@@H](N2Cc3c(ccc4c3OC[C@@H]3CN(C[C@H]5COC6(CCN(c7ccc([C@H]8c9ccc(O)cc9OC[C@H]8c8ccccc8)cc7)CC6)C5)CCN43)C2=O)C(=O)N1
|
C48H51N5O7 809.964000 |
NGKUCSTXXZJYFQ-DXRBWDAFSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97104
|
Local ready
Direct docking supported
|
|
E3L004327
BDB004327
|
BDBM97105
COc1cc(N2CCC(CN3CCN4c5ccc(C(=O)NC6CCC(=O)NC6=O)nc5OC[C@H]4C3)CC2)ccc1[C@@H]1c2ccc(O)cc2OC[C@@H]1c1ccccc1
|
C44H48N6O7 772.903000 |
SVMHYDKBQVEMPG-COUBYJJRSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97105
|
Local ready
Direct docking supported
|
|
E3L004328
BDB004328
|
BDBM97106
COc1cc(N2CCC(CN3CCC4(CC3)COc3c4ccc4c3CN(C3CCC(=O)NC3=O)C4=O)CC2)ccc1[C@H]1c2ccc(O)cc2OC[C@H]1c1ccccc1
|
C47H50N4O7 782.938000 |
HWCRAIQSYXFHSR-AXGFXAMOSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97106
|
Local ready
Direct docking supported
|
|
E3L004329
BDB004329
|
BDBM97107
COc1cc(N2CCC(CN3CCC4(CC3)COc3cc5c(cc34)CN(C3CCC(=O)NC3=O)C5=O)CC2)ccc1[C@H]1c2ccc(O)cc2OC[C@H]1c1ccccc1
|
C47H50N4O7 782.938000 |
BLLHNCYYRIJFSD-VLFIJZMYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97107
|
Local ready
Direct docking supported
|
|
E3L004330
BDB004330
|
BDBM97108
O=C1CCC(N2Cc3ccc4c(c3C2=O)OCC42CCN(CC3COC4(CCN(c5ccc([C@H]6c7ccc(O)cc7OC[C@H]6c6ccccc6)cc5)CC4)C3)CC2)C(=O)N1
|
C49H52N4O7 808.976000 |
QCJKIAQNQAZEPK-RIPBKVNYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97108
|
Local ready
Direct docking supported
|
|
E3L004331
BDB004331
|
BDBM97109
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-JWCQWZMLSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97109
|
Local ready
Direct docking supported
|
|
E3L004332
BDB004332
|
BDBM97110
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-VHJUSVDWSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97110
|
Local ready
Direct docking supported
|
|
E3L004333
BDB004333
|
BDBM97111
O=C1CC[C@@H](Nc2ccc(C3CCN(CC4CCC5(CC4)CN(c4ccc([C@H]6c7ccc(O)cc7OC[C@H]6c6ccccc6)cc4)C5)CC3)cc2)C(=O)N1
|
C46H52N4O4 724.946000 |
FXZDRKDLUPUSJF-OHJVXUKZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97111; PubChem:CID177910037
|
Local ready
Direct docking supported
|
|
E3L004334
BDB004334
|
BDBM97112
O=C1CC[C@@H](Nc2ccc(C3CCN(CC4CCC5(CC4)CN(c4ccc([C@@H]6c7ccc(O)cc7OC[C@@H]6c6ccccc6)cc4)C5)CC3)cc2)C(=O)N1
|
C46H52N4O4 724.946000 |
FXZDRKDLUPUSJF-DFFQZVHSSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97112; PubChem:CID177910049
|
Local ready
Direct docking supported
|
|
E3L004335
BDB004335
|
BDBM97113
O=C1CC[C@H](NC(=O)c2ccc3c(n2)OCC2CN(CC4CCC5(CC4)CN(c4ccc([C@@H]6c7ccc(O)cc7OC[C@@H]6c6ccccc6)cc4)C5)CCN32)C(=O)N1
|
C46H50N6O6 782.942000 |
GKZULFGHRFBJMC-DZPLXULPSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97113
|
Local ready
Direct docking supported
|
|
E3L004336
BDB004336
|
BDBM97114
COc1cc(C(=O)N[C@@H]2CCC(=O)NC2=O)ncc1N1CCN(CC2CCC3(CC2)CN(c2ccc([C@H]4c5ccc(O)cc5OC[C@H]4c4ccccc4)cc2)C3)CC1
|
C46H52N6O6 784.958000 |
VTECJCSWJYJOBF-WVMOZGFBSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97114
|
Local ready
Direct docking supported
|
|
E3L004337
BDB004337
|
BDBM97115
O=C1CC[C@@H](NC(=O)c2ccc(N3CCN(CC4COC5(CCN(c6ccc([C@H]7c8ccc(O)cc8OC[C@H]7c7ccccc7)cc6)CC5)C4)CC3)cn2)C(=O)N1
|
C45H50N6O6 770.931000 |
ZGGLXGNUSDKTMR-RFEQVNLESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97115; PubChem:CID177910085
|
Local ready
Direct docking supported
|
|
E3L004338
BDB004338
|
BDBM97116
O=C1CCC(N2Cc3c(ccc4c3OCC43CCN(CC4COC5(CCN(c6ccc([C@H]7c8ccc(O)cc8OC[C@H]7c7ccccc7)cc6)CC5)C4)CC3)C2=O)C(=O)N1
|
C49H52N4O7 808.976000 |
LFJJUGKUGCAABV-IVIYUGEWSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97116
|
Local ready
Direct docking supported
|
|
E3L004339
BDB004339
|
BDBM97117
O=C1CC[C@H](NC(=O)c2ccc3c(n2)OC[C@H]2CN(C[C@H]4COC5(CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)C4)CCN32)C(=O)N1
|
C46H50N6O7 798.941000 |
JTVVMXJVTIJQEP-WYAGUOBASA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97117
|
Local ready
Direct docking supported
|
|
E3L004340
BDB004340
|
BDBM97118
O=C1CC[C@H](NC(=O)c2ccc3c(n2)OC[C@H]2CN(C[C@@H]4COC5(CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)C4)CCN32)C(=O)N1
|
C46H50N6O7 798.941000 |
JTVVMXJVTIJQEP-AAXWTOBDSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97118
|
Local ready
Direct docking supported
|