| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004301
BDB004301
|
BDBM97079
O=C1CCN(c2ccc(N3CCC4(CC3)CC(CN3CCN(c5ccc([C@H]6c7ccc(O)cc7OC[C@H]6c6ccccc6)cc5)CC3)C4)cc2)C(=O)N1
|
C44H49N5O4 711.907000 |
RXUDRFOWCCWJCN-PYLAIEKPSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97079; PubChem:CID177910011
|
Local ready
Direct docking supported
|
|
E3L004302
BDB004302
|
BDBM97080
COc1nc(C(=O)NC2CCC(=O)NC2=O)ccc1N1CCN(CC2CCC3(CC2)CN(c2ccc([C@@H]4c5ccc(O)cc5OC[C@@H]4c4ccccc4)cc2)C3)CC1
|
C46H52N6O6 784.958000 |
KSMVHWVTYYBUSG-VJXFDVIISA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97080; PubChem:CID177910069
|
Local ready
Direct docking supported
|
|
E3L004303
BDB004303
|
BDBM97081
COc1cc(N2CCC(CN3CCN(c4ccc(C(=O)NC5CCC(=O)NC5=O)nc4)CC3)CC2)c(F)cc1[C@H]1c2ccc(O)cc2OC[C@H]1c1ccccc1
|
C43H47FN6O6 762.883000 |
GDFNZUUTQPQEIV-LKGFRLRQSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97081
|
Local ready
Direct docking supported
|
|
E3L004304
BDB004304
|
BDBM97082
COc1cc(N2CCC(CN3CCN(c4ccc(C(=O)NC5CCC(=O)NC5=O)nc4)CC3)CC2)c(F)cc1[C@H]1c2ccc(O)cc2CC[C@H]1c1ccccc1
|
C44H49FN6O5 760.911000 |
YMILKCLHVQTTEF-YKQQOZRPSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97082
|
Local ready
Direct docking supported
|
|
E3L004305
BDB004305
|
BDBM97083
O=C1CC[C@@H](NC(=O)c2ccc(N3CCC(CN4CC5(CCN(c6ccc([C@H]7c8ccc(O)cc8OC[C@H]7c7ccccc7)cc6)CC5)C4)CC3)cn2)C(=O)N1
|
C45H50N6O5 754.932000 |
XVVSQCDQVGMBIT-DLDRHDQOSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97083; PubChem:CID177910029
|
Local ready
Direct docking supported
|
|
E3L004306
BDB004306
|
BDBM97084
O=C1CCC(N2Cc3c(ccc4c3OCC43CCN(CC4CC5(CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)C4)CC3)C2=O)C(=O)N1
|
C49H52N4O6 792.977000 |
BUNBYWKAYABLSW-CFRYPWGGSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97084
|
Local ready
Direct docking supported
|
|
E3L004307
BDB004307
|
BDBM97085
O=C1CCC(N2Cc3c(ccc4c3OCC43CCN(CC4CCC5(CC4)CN(c4ccc([C@@H]6c7ccc(O)cc7OC[C@@H]6c6ccccc6)cc4)C5)CC3)C2=O)C(=O)N1
|
C49H52N4O6 792.977000 |
BPZMDXPICADHQA-CFRYPWGGSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97085
|
Local ready
Direct docking supported
|
|
E3L004308
BDB004308
|
BDBM97086
O=C1CC[C@H](N2Cc3c(ccc4c3OC[C@H]3CN(CC5CCC6(CC5)CN(c5ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc5)C6)CCN43)C2=O)C(=O)N1
|
C48H51N5O6 793.965000 |
VMPKZWYOZWRHDR-YFRYQBHSSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97086
|
Local ready
Direct docking supported
|
|
E3L004309
BDB004309
|
BDBM97087
COc1cc(C(=O)NC2CCC(=O)NC2=O)ncc1N1CCN(CC2CC3(CCN(c4ccc([C@H]5c6ccc(O)cc6OC[C@H]5c5ccccc5)cc4)CC3)C2)CC1
|
C46H52N6O6 784.958000 |
NEHPFQCGFCHTJQ-QRMCIMJJSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97087; PubChem:CID178289730
|
Local ready
Direct docking supported
|
|
E3L004310
BDB004310
|
BDBM97088
COc1cc(C(=O)NC2CCC(=O)NC2=O)ncc1N1CCN(CC2CCC3(CC2)CN(c2ccc([C@H]4c5ccc(O)cc5OC[C@H]4c4ccccc4)cc2)C3)CC1
|
C46H52N6O6 784.958000 |
VTECJCSWJYJOBF-QRMCIMJJSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97088
|
Local ready
Direct docking supported
|
|
E3L004311
BDB004311
|
BDBM97089
O=C1CC[C@@H](N2Cc3cc4c(cc3C2=O)OC[C@H]2CN(CC3CCC5(CC3)CN(c3ccc([C@H]6c7ccc(O)cc7OC[C@H]6c6ccccc6)cc3)C5)CCN42)C(=O)N1
|
C48H51N5O6 793.965000 |
IKGGCVYEWPPTHT-SDNXNGNJSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97089
|
Local ready
Direct docking supported
|
|
E3L004312
BDB004312
|
BDBM97090
O=C1CC[C@@H](N2Cc3cc4c(cc3C2=O)OC[C@H]2CN(CC3CCC5(CC3)CN(c3ccc([C@@H]6c7ccc(O)cc7OC[C@@H]6c6ccccc6)cc3)C5)CCN42)C(=O)N1
|
C48H51N5O6 793.965000 |
IKGGCVYEWPPTHT-HZXCJDKNSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97090
|
Local ready
Direct docking supported
|
|
E3L004313
BDB004313
|
BDBM97091
O=C1CC[C@@H](N2Cc3cc4c(cc3C2=O)OC[C@@H]2CN(CC3CCC5(CC3)CN(c3ccc([C@H]6c7ccc(O)cc7OC[C@H]6c6ccccc6)cc3)C5)CCN42)C(=O)N1
|
C48H51N5O6 793.965000 |
IKGGCVYEWPPTHT-KLBWNNHCSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97091
|
Local ready
Direct docking supported
|
|
E3L004314
BDB004314
|
BDBM97092
COc1cc(N2CCC(CN3CCN4c5ccc6c(c5OC[C@@H]4C3)CN([C@@H]3CCC(=O)NC3=O)C6=O)CC2)ccc1[C@H]1c2ccc(O)cc2OC[C@H]1c1ccccc1
|
C46H49N5O7 783.926000 |
KFOQSSLNXOAYPF-YFCFRZQXSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97092
|
Local ready
Direct docking supported
|
|
E3L004315
BDB004315
|
BDBM97093
COc1cc(N2CCC(CN3CCN4c5cc6c(cc5OC[C@H]4C3)C(=O)N([C@@H]3CCC(=O)NC3=O)C6)CC2)ccc1[C@H]1c2ccc(O)cc2OC[C@H]1c1ccccc1
|
C46H49N5O7 783.926000 |
FAZUJCHEBBDOGY-OHRBTCLOSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97093
|
Local ready
Direct docking supported
|
|
E3L004316
BDB004316
|
BDBM97094
O=C1CCC(N2Cc3cc4c(cc3C2=O)OCC42CCN(CC3CC4(CCN(c5ccc([C@H]6c7ccc(O)cc7OC[C@H]6c6ccccc6)cn5)CC4)C3)CC2)C(=O)N1
|
C48H51N5O6 793.965000 |
HNPQTADTBSZCMP-VLFIJZMYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97094
|
Local ready
Direct docking supported
|
|
E3L004317
BDB004317
|
BDBM97095
COc1cc(N2CCC(CN3CCN(c4ccc(C(=O)NC5CCC(=O)NC5=O)nc4)CC3)CC2)ccc1[C@H]1c2ccc(O)cc2OC[C@H]1c1ccccc1
|
C43H48N6O6 744.893000 |
XNSQIMMUGFTIRJ-HBDPAJJASA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97095; PubChem:CID170728633
|
Local ready
Direct docking supported
|
|
E3L004318
BDB004318
|
BDBM97096
COc1cc(N2CCC3(CC2)CC(CN2CCN4c5ccc6c(c5OC[C@@H]4C2)CN([C@@H]2CCC(=O)NC2=O)C6=O)C3)c(F)cc1[C@@H]1c2ccc(O)cc2OC[C@@H]1c1ccccc1
|
C49H52FN5O7 841.981000 |
RRPOCDMJIPJJHE-ZPXIRKDHSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97096
|
Local ready
Direct docking supported
|
|
E3L004319
BDB004319
|
BDBM97097
COc1cc(N2CCC3(CC2)CC(CN2CCN4c5ccc6c(c5OC[C@@H]4C2)CN([C@@H]2CCC(=O)NC2=O)C6=O)C3)c(F)cc1[C@H]1c2ccc(O)cc2OC[C@H]1c1ccccc1
|
C49H52FN5O7 841.981000 |
RRPOCDMJIPJJHE-JBASSRSASA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97097
|
Local ready
Direct docking supported
|
|
E3L004320
BDB004320
|
BDBM97098
COc1cc(N2CCC(CN3CCN(c4cnc(C(=O)NC5CCC(=O)NC5=O)cc4OC)CC3)CC2)ccc1[C@H]1c2ccc(O)cc2OC[C@H]1c1ccccc1
|
C44H50N6O7 774.919000 |
OMHCGTCMFJLIGD-MSBWDXGGSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97098; PubChem:CID177910031
|
Local ready
Direct docking supported
|