| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004281
BDB004281
|
BDBM97058
O=C1CCN(c2ccc(N3CCC(CN4CC5(CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)C4)CC3)cc2)C(=O)N1
|
C44H49N5O4 711.907000 |
QRABZRCTKVZUIT-OLBRMRTOSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97058; PubChem:CID177909997
|
Local ready
Direct docking supported
|
|
E3L004282
BDB004282
|
BDBM97059
O=C1CCC(NC(=O)c2ccc(N3CCN(CC4CCN(c5ccc([C@@H]6c7ccc(O)cc7OC[C@@H]6c6ccccc6)cc5)CC4)CC3)cn2)C(=O)N1
|
C42H46N6O5 714.867000 |
VSEHCADHYDAABF-YCZIAOJFSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97059; PubChem:CID170728471
|
Local ready
Direct docking supported
|
|
E3L004283
BDB004283
|
BDBM97060
O=C1CC[C@@H](N2Cc3c(ccc4c3OC[C@H]3CN(CC5CC6(CCN(c7ccc([C@@H]8c9ccc(O)cc9OC[C@@H]8c8ccccc8)cc7)CC6)C5)CCN43)C2=O)C(=O)N1
|
C48H51N5O6 793.965000 |
SSNYEZAYMZGQKT-YGOYJXSISA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97060
|
Local ready
Direct docking supported
|
|
E3L004284
BDB004284
|
BDBM97061
O=C1CC[C@H](N2Cc3c(ccc4c3OC[C@H]3CN(CC5CC6(CCN(c7ccc([C@@H]8c9ccc(O)cc9OC[C@@H]8c8ccccc8)cc7)CC6)C5)CCN43)C2=O)C(=O)N1
|
C48H51N5O6 793.965000 |
SSNYEZAYMZGQKT-YFRYQBHSSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97061
|
Local ready
Direct docking supported
|
|
E3L004285
BDB004285
|
BDBM97062
O=C1CCC(Nc2ccc3c(c2)OC[C@H]2CN(CC4CCN(c5ccc([C@@H]6c7ccc(O)cc7OC[C@@H]6c6ccccc6)cc5)CC4)CCN32)C(=O)N1
|
C43H47N5O5 713.879000 |
AMTBEGNKSBJTOX-HVSXORMRSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97062
|
Local ready
Direct docking supported
|
|
E3L004286
BDB004286
|
BDBM97063
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:BDBM97063; PubChem:CID170728513
|
Local ready
Direct docking supported
|
|
E3L004287
BDB004287
|
BDBM97064
O=C1CCC(NC(=O)c2ccc3c(n2)OCC2CN(CC4CC5(CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)C4)CCN32)C(=O)N1
|
C46H50N6O6 782.942000 |
RRVFSYQOALYMCA-NRLSUTHGSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97064
|
Local ready
Direct docking supported
|
|
E3L004288
BDB004288
|
BDBM97065
O=C1CCC(Nc2ccc3c(c2)OC[C@H]2CN(CC4CC5(CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)C4)CCN32)C(=O)N1
|
C46H51N5O5 753.944000 |
FBBKIDJZKBVIEO-JASNWFBQSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97065
|
Local ready
Direct docking supported
|
|
E3L004289
BDB004289
|
BDBM97066
O=C1CC[C@@H](N2Cc3cc4c(cc3C2=O)OC[C@H]2CN(CC3CC5(CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)C3)CCN42)C(=O)N1
|
C48H51N5O6 793.965000 |
JGUADLWFBMOXGP-HZXCJDKNSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97066
|
Local ready
Direct docking supported
|
|
E3L004290
BDB004290
|
BDBM97067
O=C1CC[C@@H](N2Cc3cc4c(cc3C2=O)OC[C@@H]2CN(CC3CC5(CCN(c6ccc([C@H]7c8ccc(O)cc8OC[C@H]7c7ccccc7)cc6)CC5)C3)CCN42)C(=O)N1
|
C48H51N5O6 793.965000 |
JGUADLWFBMOXGP-KLBWNNHCSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97067
|
Local ready
Direct docking supported
|
|
E3L004291
BDB004291
|
BDBM97068
COc1nc(C(=O)NC2CCC(=O)NC2=O)ccc1N1CCN(CC2CC3(CCN(c4ccc([C@H]5c6ccc(O)cc6OC[C@H]5c5ccccc5)cc4)CC3)C2)CC1
|
C46H52N6O6 784.958000 |
LOWCQNDEZXEJJP-YJFWGHSASA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97068; PubChem:CID177910017
|
Local ready
Direct docking supported
|
|
E3L004292
BDB004292
|
BDBM97069
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-DHFQGNFWSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97069
|
Local ready
Direct docking supported
|
|
E3L004293
BDB004293
|
BDBM97070
O=C1CCC(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-OKFHQEQKSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97070
|
Local ready
Direct docking supported
|
|
E3L004294
BDB004294
|
BDBM97071
O=C1CCC(NC(=O)c2ccc(N3CCN(CC4CCN(c5ccc([C@H]6c7ccc(O)cc7OC[C@H]6c6ccccc6)cc5F)CC4)CC3)cn2)C(=O)N1
|
C42H45FN6O5 732.857000 |
JJXHYLDMEUEYBJ-OTOPVPARSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97071; PubChem:CID175981155
|
Local ready
Direct docking supported
|
|
E3L004295
BDB004295
|
BDBM97072
O=C1CCC(NC(=O)c2ccc(C3CCN(CC4CCN(c5ccc([C@H]6c7ccc(O)cc7OC[C@H]6c6ccccc6)cc5F)CC4)CC3)cn2)C(=O)N1
|
C43H46FN5O5 731.869000 |
YTEFFMGWAFHWCN-KXHMSUNYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97072; PubChem:CID177910081
|
Local ready
Direct docking supported
|
|
E3L004296
BDB004296
|
BDBM97073
COc1nc(C(=O)NC2CCC(=O)NC2=O)ccc1N1CCN(CC2CCN(c3ccc([C@H]4c5ccc(O)cc5OC[C@H]4c4ccccc4)cc3F)CC2)CC1
|
C43H47FN6O6 762.883000 |
PFEFGDOFONBZBV-ADCODFMVSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97073; PubChem:CID177910007
|
Local ready
Direct docking supported
|
|
E3L004297
BDB004297
|
BDBM97074
O=C1CCC(NC(=O)c2ccc3c(n2)OC[C@H]2CN(CC4CCN(c5ccc([C@H]6c7ccc(O)cc7OCC6c6ccccc6)cc5F)CC4)CCN32)C(=O)N1
|
C43H45FN6O6 760.867000 |
JBUKPSGLNNCCMM-JSRHRBPCSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97074
|
Local ready
Direct docking supported
|
|
E3L004298
BDB004298
|
BDBM97075
O=C1CCC(NC(=O)c2ccc3c(n2)OC[C@H]2CN(CC4CCN(c5ccc([C@@H]6c7ccc(O)cc7OC[C@@H]6c6ccccc6)cc5F)CC4)CCN32)C(=O)N1
|
C43H45FN6O6 760.867000 |
JBUKPSGLNNCCMM-GSGMZDHZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97075
|
Local ready
Direct docking supported
|
|
E3L004299
BDB004299
|
BDBM97076
COc1cc(N2CCC(CN3CCN4c5ccc6c(c5OC[C@H]4C3)CN(C3CCC(=O)NC3=O)C6=O)CC2)c(F)cc1[C@H]1c2ccc(O)cc2OC[C@H]1c1ccccc1
|
C46H48FN5O7 801.916000 |
ABYHVQGAUUOKSI-XLONVXCRSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97076
|
Local ready
Direct docking supported
|
|
E3L004300
BDB004300
|
BDBM97078
COc1cc(N2CCC(CN3CCN4c5ccc6c(c5OC[C@@H]4C3)CN([C@@H]3CCC(=O)NC3=O)C6=O)CC2)c(F)cc1[C@@H]1c2ccc(O)cc2OC[C@@H]1c1ccccc1
|
C46H48FN5O7 801.916000 |
ABYHVQGAUUOKSI-HWNNZLFQSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97078
|
Local ready
Direct docking supported
|