| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004201
BDB004201
|
BDBM96973
O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(CC(=O)N2CCC3(CC2)CCN(c2ncc([C@@H]5c6ccc(O)cc6OC[C@@H]5c5ccccc5)cn2)CC3)C4)C(=O)N1
|
C45H45N7O7 795.897000 |
CXEDLWYNPGRCDG-DZBQKGDRSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM96973
|
Local ready
Direct docking supported
|
|
E3L004202
BDB004202
|
BDBM96975
O=C1CCC(N2Cc3c(ccc4c3OC[C@@H]3CN(CC5CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6F)CC5)CCN43)C2=O)C(=O)N1
|
C45H46FN5O6 771.890000 |
WIZNLEVXEOBIOP-AQKCNHJKSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM96975
|
Local ready
Direct docking supported
|
|
E3L004203
BDB004203
|
BDBM96976
O=C1CCC(N2Cc3c(ccc4c3OC[C@@H]3CN(CC5CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)CCN43)C2=O)C(=O)N1
|
C45H47N5O6 753.900000 |
PKHVPEPQVNTSRM-CTTMPWNASA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM96976
|
Local ready
Direct docking supported
|
|
E3L004204
BDB004204
|
BDBM96977
O=C1CCC(N2Cc3c(ccc4c3OC[C@H]3CN(CC5CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)CCN43)C2=O)C(=O)N1
|
C45H47N5O6 753.900000 |
PKHVPEPQVNTSRM-AKMUTJTOSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM96977
|
Local ready
Direct docking supported
|
|
E3L004205
BDB004205
|
BDBM96978
O=C1CCC(N2Cc3c(ccc4c3OC[C@H]3CN(CC5CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6F)CC5)CCN43)C2=O)C(=O)N1
|
C45H46FN5O6 771.890000 |
WIZNLEVXEOBIOP-MRGWQNFRSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM96978
|
Local ready
Direct docking supported
|
|
E3L004206
BDB004206
|
BDBM96979
O=C1CCC(N2Cc3cc4c(cc3C2=O)OC[C@@H]2CN(CC3CCN(c5ncc([C@@H]6c7ccc(O)cc7OC[C@@H]6c6ccccc6)cn5)CC3)CCN42)C(=O)N1
|
C43H45N7O6 755.876000 |
ZLOPFKOIACXTPD-TVZLJOQGSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM96979
|
Local ready
Direct docking supported
|
|
E3L004207
BDB004207
|
BDBM96980
O=C1CCC(N2Cc3cc4c(cc3C2=O)OC[C@@H]2CN(CC3CCN(c5ccc([C@H]6c7ccc(O)cc7OC[C@H]6c6ccccc6)cc5)CC3)CCN42)C(=O)N1
|
C45H47N5O6 753.900000 |
TYEXTZBQGMCLAT-ZVKYLPOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM96980
|
Local ready
Direct docking supported
|
|
E3L004208
BDB004208
|
BDBM96981
COc1ccc([C@@H]2COc3cc(O)ccc3[C@@H]2c2ccc(N3CCC(CN4CCN5c6ccc7c(c6OC[C@@H]5C4)CN(C4CCC(=O)NC4=O)C7=O)CC3)cc2)cc1
|
C46H49N5O7 783.926000 |
ZPARCMJNDCBEMK-HSKPUCRNSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM96981
|
Local ready
Direct docking supported
|
|
E3L004209
BDB004209
|
BDBM96982
COc1ccc([C@H]2COc3cc(O)ccc3[C@H]2c2ccc(N3CCC(CN4CCN5c6ccc7c(c6OC[C@@H]5C4)CN(C4CCC(=O)NC4=O)C7=O)CC3)cc2)cc1
|
C46H49N5O7 783.926000 |
ZPARCMJNDCBEMK-JDBXITKRSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM96982
|
Local ready
Direct docking supported
|
|
E3L004210
BDB004210
|
BDBM96983
Cc1nn(C2CCC(=O)NC2=O)c2ccc(N3CCN(CC4CCN(c5ccc([C@@H]6c7ccc(O)cc7OC[C@@H]6c6ccccc6)cc5F)CC4)CC3)cc12
|
C44H47FN6O4 742.896000 |
XDZAITKNQBTMML-HSLXVOGESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM96983; PubChem:CID170728455
|
Local ready
Direct docking supported
|
|
E3L004211
BDB004211
|
BDBM96984
COc1ccc([C@@H]2COc3cc(O)ccc3[C@@H]2c2ccc(N3CCC(CN4CCN5c6ccc7c(c6OC[C@H]5C4)CN(C4CCC(=O)NC4=O)C7=O)CC3)cc2)cc1
|
C46H49N5O7 783.926000 |
ZPARCMJNDCBEMK-AONKCEDPSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM96984
|
Local ready
Direct docking supported
|
|
E3L004212
BDB004212
|
BDBM96985
COc1ccc([C@H]2COc3cc(O)ccc3[C@H]2c2ccc(N3CCC(CN4CCN5c6ccc7c(c6OC[C@H]5C4)CN(C4CCC(=O)NC4=O)C7=O)CC3)cc2)cc1
|
C46H49N5O7 783.926000 |
ZPARCMJNDCBEMK-CCOAXIEXSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM96985
|
Local ready
Direct docking supported
|
|
E3L004213
BDB004213
|
BDBM96986
Cc1nn(C2CCC(=O)NC2=O)c2ccc(N3CCN(CC4CC5(CCN(c6ccc([C@H]7c8ccc(O)cc8OC[C@H]7c7ccccc7)cc6)CC5)C4)CC3)cc12
|
C47H52N6O4 764.971000 |
BEBXTZTZHAHQSO-SONZDUBQSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM96986; PubChem:CID177910084
|
Local ready
Direct docking supported
|
|
E3L004214
BDB004214
|
BDBM96987
O=C1CCC(N2Cc3cc4c(cc3C2=O)OC[C@@H]2CN(CC3CCN(c5ncc([C@H]6c7ccc(O)cc7OC[C@H]6c6ccccc6)cn5)CC3)CCN42)C(=O)N1
|
C43H45N7O6 755.876000 |
ZLOPFKOIACXTPD-VCJJMIKJSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM96987
|
Local ready
Direct docking supported
|
|
E3L004215
BDB004215
|
BDBM96988
O=C1CCC(N2Cc3c(ccc4c3OC[C@@H]3CN(CC5CCN(c6ncc([C@H]7c8ccc(O)cc8OC[C@H]7c7ccccc7)cn6)CC5)CCN43)C2=O)C(=O)N1
|
C43H45N7O6 755.876000 |
RPFWZHFAZYZAOK-KXZSMYFESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM96988
|
Local ready
Direct docking supported
|
|
E3L004216
BDB004216
|
BDBM96989
O=C1CCC(N2Cc3c(ccc4c3OC[C@@H]3CN(CC5CCN(c6ncc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cn6)CC5)CCN43)C2=O)C(=O)N1
|
C43H45N7O6 755.876000 |
RPFWZHFAZYZAOK-OQIIJDQASA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM96989
|
Local ready
Direct docking supported
|
|
E3L004217
BDB004217
|
BDBM96990
O=C1CCC(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-KMHCEIBSSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM96990
|
Local ready
Direct docking supported
|
|
E3L004218
BDB004218
|
BDBM96991
O=C1CCC(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-MZLAYQSQSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM96991
|
Local ready
Direct docking supported
|
|
E3L004219
BDB004219
|
BDBM96992
COc1cccc([C@H]2COc3cc(O)ccc3[C@H]2c2ccc(N3CCC(CN4CCN5c6ccc7c(c6OC[C@@H]5C4)CN(C4CCC(=O)NC4=O)C7=O)CC3)cc2)c1
|
C46H49N5O7 783.926000 |
OTLGVHCCZYBXFT-JDBXITKRSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM96992
|
Local ready
Direct docking supported
|
|
E3L004220
BDB004220
|
BDBM96993
COc1cccc([C@@H]2COc3cc(O)ccc3[C@@H]2c2ccc(N3CCC(CN4CCN5c6ccc7c(c6OC[C@@H]5C4)CN(C4CCC(=O)NC4=O)C7=O)CC3)cc2)c1
|
C46H49N5O7 783.926000 |
OTLGVHCCZYBXFT-HSKPUCRNSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM96993
|
Local ready
Direct docking supported
|