| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004241
BDB004241
|
BDBM97015
O=C1CCC(N2Cc3cc4c(cc3C2=O)CN(C(=O)CN2CC3(CCN(c5ccc([C@H]6c7ccc(O)cc7OC[C@H]6c6ccccc6)cc5)CC3)C2)C4)C(=O)N1
|
C45H45N5O6 751.884000 |
RNNMVVNAVASCCO-YQRCWRDESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97015
|
Local ready
Direct docking supported
|
|
E3L004242
BDB004242
|
BDBM97016
O=C1CCC(N2Cc3cc4c(cc3C2=O)CN(C(=O)CN2CCC3(CC2)CN(c2ccc([C@H]5c6ccc(O)cc6OC[C@H]5c5ccccc5)cc2)C3)C4)C(=O)N1
|
C45H45N5O6 751.884000 |
YIVSKZUSEWEYQU-YQRCWRDESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97016
|
Local ready
Direct docking supported
|
|
E3L004243
BDB004243
|
BDBM97017
O=C1CCC(N2Cc3cc4c(cc3C2=O)CN(C(=O)CN2CCC3(CC2)CN(c2ccc([C@@H]5c6ccc(O)cc6OC[C@@H]5c5ccccc5)cc2)C3)C4)C(=O)N1
|
C45H45N5O6 751.884000 |
YIVSKZUSEWEYQU-KPCYZQHLSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97017
|
Local ready
Direct docking supported
|
|
E3L004244
BDB004244
|
BDBM97018
O=C1CCC(N2Cc3cc4c(cc3C2=O)CN(C(=O)CN2CCC3(CC2)CN(c2ccc([C@H]5c6ccc(O)cc6OC[C@H]5c5ccccc5)cc2)C3)C4)C(=O)N1
|
C45H45N5O6 751.884000 |
YIVSKZUSEWEYQU-YQRCWRDESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97018
|
Local ready
Direct docking supported
|
|
E3L004245
BDB004245
|
BDBM97019
O=C1CCC(N2Cc3cc4c(cc3C2=O)CN(C(=O)CN2CCC3(CC2)CN(c2ccc([C@@H]5c6ccc(O)cc6OC[C@@H]5c5ccccc5)cc2)C3)C4)C(=O)N1
|
C45H45N5O6 751.884000 |
YIVSKZUSEWEYQU-KPCYZQHLSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97019
|
Local ready
Direct docking supported
|
|
E3L004246
BDB004246
|
BDBM97021
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-ZNGICXFJSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97021
|
Local ready
Direct docking supported
|
|
E3L004247
BDB004247
|
BDBM97022
O=C1CCC(Nc2ccc(N3CCN(CC4CC5(CCN(c6ccc([C@H]7c8ccc(O)cc8OC[C@H]7c7ccccc7)cc6)CC5)C4)CC3)c(F)c2)C(=O)N1
|
C45H50FN5O4 743.924000 |
WOTXGZLKWHJECJ-AXGFXAMOSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97022; PubChem:CID177910020
|
Local ready
Direct docking supported
|
|
E3L004248
BDB004248
|
BDBM97023
O=C1CCC(Nc2ccc(N3CCN(CC4CC5(CCN(c6ccc([C@@H]7c8ccc(O)cc8OCC7c7ccccc7)cc6)CC5)C4)CC3)c(F)c2)C(=O)N1
|
C45H50FN5O4 743.924000 |
WOTXGZLKWHJECJ-SZCGHOMGSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97023; PubChem:CID178289722
|
Local ready
Direct docking supported
|
|
E3L004249
BDB004249
|
BDBM97024
O=C1CCC(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-UIMDZVHESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97024
|
Local ready
Direct docking supported
|
|
E3L004250
BDB004250
|
BDBM97025
O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(C(=O)CN2CCC3(CC2)CCN(c2ccc([C@H]5c6ccc(O)cc6OC[C@H]5c5ccccc5)cc2)CC3)C4)C(=O)N1
|
C47H47N5O7 793.921000 |
CHXFLTHETNYWSI-DHFQGNFWSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97025
|
Local ready
Direct docking supported
|
|
E3L004251
BDB004251
|
BDBM97026
O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(C(=O)CN2CC3(CCN(c5ccc([C@H]6c7ccc(O)cc7OC[C@H]6c6ccccc6)cc5)CC3)C2)C4)C(=O)N1
|
C45H43N5O7 765.867000 |
ZMDNGTWULHGEKN-VIKHGVINSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97026
|
Local ready
Direct docking supported
|
|
E3L004252
BDB004252
|
BDBM97027
O=C1CCC(N2Cc3cc4c(cc3C2=O)CN(C(=O)CN2CC3(CCN(c5ccc([C@H]6c7ccc(O)cc7OC[C@H]6c6ccccc6)cc5)CC3)C2)C4)C(=O)N1
|
C45H45N5O6 751.884000 |
RNNMVVNAVASCCO-YQRCWRDESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97027
|
Local ready
Direct docking supported
|
|
E3L004253
BDB004253
|
BDBM97029
CC(C(=O)N1Cc2cc3c(cc2C1)C(=O)N(C1CCC(=O)NC1=O)C3=O)N1CCC2(CCN(c3ccc([C@H]4c5ccc(O)cc5OC[C@H]4c4ccccc4)cc3)CC2)CC1
|
C48H49N5O7 807.948000 |
FOZBXYHGNVUKNM-WOUSRUDESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97029
|
Local ready
Direct docking supported
|
|
E3L004254
BDB004254
|
BDBM97030
O=C1CCC(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-UIMDZVHESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97030
|
Local ready
Direct docking supported
|
|
E3L004255
BDB004255
|
BDBM97031
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-YULCDPNTSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97031
|
Local ready
Direct docking supported
|
|
E3L004256
BDB004256
|
BDBM97033
COC[C@H](C(=O)N1Cc2cc3c(cc2C1)C(=O)N(C1CCC(=O)NC1=O)C3)N1CCC2(CCN(c3ccc([C@@H]4c5ccc(O)cc5OC[C@@H]4c4ccccc4)cc3)CC2)CC1
|
C49H53N5O7 823.991000 |
ROYIWWJGHAIZCB-GFLHWUSRSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97033
|
Local ready
Direct docking supported
|
|
E3L004257
BDB004257
|
BDBM97034
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-QTAKYKNCSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97034
|
Local ready
Direct docking supported
|
|
E3L004258
BDB004258
|
BDBM97035
O=C1CCC(N2Cc3cc(N4CCN(CC5CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)CC4)ccc3C2=O)C(=O)N1
|
C44H47N5O5 725.890000 |
DBLBJKJFIFWIKZ-RHPHFPNSSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM97035; PubChem:CID155172507
|
Local ready
Direct docking supported
|
|
E3L004259
BDB004259
|
BDBM97036
O=C1CCC(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-UIMDZVHESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97036
|
Local ready
Direct docking supported
|
|
E3L004260
BDB004260
|
BDBM97037
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-OHGKJIAESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97037
|
Local ready
Direct docking supported
|