| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008321
BDB008321
|
BDBM206026
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCC4(CC3)CC(CN3CCC(c5ccc6c(c5)n(C)c(=O)n6C5CCC(=O)NC5=O)CC3)C4)nc2)N1CC(F)F
|
C45H53F2N9O3 805.975000 |
KIRYOWGBLGLINP-BNTARQHMSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206026
|
Local ready
Direct docking supported
|
|
E3L008322
BDB008322
|
BDBM206027
COc1cc(N2CCC(CN3CCC4(CC3)COc3cc5c(cc34)CN(C3CCC(=O)NC3=O)C5=O)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C46H52F2N6O5 806.955000 |
JIQQCYWIYSAICS-VPTXLVNASA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206027
|
Local ready
Direct docking supported
|
|
E3L008323
BDB008323
|
BDBM206028
COc1cc(N2CCC(CN3CCC(c4ccc(N[C@H]5CCC(=O)NC5=O)cc4F)CC3)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C43H51F3N6O3 756.914000 |
HQOQXUHKLUVJIL-NYJMODBESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206028
|
Local ready
Direct docking supported
|
|
E3L008324
BDB008324
|
BDBM206029
COc1cc(N2CCC(CN3CCN(c4ccc(NC5CCC(=O)NC5=O)cc4F)CC3)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C42H50F3N7O3 757.902000 |
HPHUKWYNBMSJEN-WCHUVLJBSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206029
|
Local ready
Direct docking supported
|
|
E3L008325
BDB008325
|
BDBM206030
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCC(CN4CCC5(CC4)COc4cc6c(cc45)CN(C4CCC(=O)NC4=O)C6=O)CC3)nc2)N1CC(F)(F)CO
|
C44H50F2N8O5 808.931000 |
RNFIEXJKUWCZCC-CHVIFGTFSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206030
|
Local ready
Direct docking supported
|
|
E3L008326
BDB008326
|
BDBM206031
COc1cc(N2CCC(CN3CCN4c5ccc6c(c5OC[C@H]4C3)CN([C@@H]3CCC(=O)NC3=O)C6=O)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C45H51F2N7O5 807.943000 |
WJHSKRHFCXEXIR-BBUZMEHDSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206031
|
Local ready
Direct docking supported
|
|
E3L008327
BDB008327
|
BDBM206032
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCN(CC4CCN(c5ccc(N6CCC(=O)NC6=O)cc5)CC4)CC3)nc2)N1CC(F)F
|
C38H45F2N9O2 697.835000 |
RABAFWIHYJUOOX-BWXVZPLGSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206032
|
Local ready
Direct docking supported
|
|
E3L008328
BDB008328
|
BDBM206033
COc1cc(N2CCC(CN3CCN4c5ccc6c(c5OC[C@H]4C3)CN([C@H]3CCC(=O)NC3=O)C6=O)CC2)ccc1[C@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C45H51F2N7O5 807.943000 |
WJHSKRHFCXEXIR-QLFATSAFSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206033
|
Local ready
Direct docking supported
|
|
E3L008329
BDB008329
|
BDBM206034
COc1cc(N2CCC(CN3CCC(c4ccc(N[C@H]5CCC(=O)NC5=O)c(F)c4)CC3)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C43H51F3N6O3 756.914000 |
GYVVNFGCGAREKN-NYJMODBESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206034
|
Local ready
Direct docking supported
|
|
E3L008330
BDB008330
|
BDBM206035
COc1cc(N2CCC(CN3CCN(c4ccc(NC5CCC(=O)NC5=O)c(F)c4)CC3)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C42H50F3N7O3 757.902000 |
AKUMKBYUJBNBSB-PZGDJNGXSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206035
|
Local ready
Direct docking supported
|
|
E3L008331
BDB008331
|
BDBM206036
COc1cc(N2CCC(CN3CCN4c5ccc6c(c5OC[C@@H]4C3)CN([C@@H]3CCC(=O)NC3=O)C6=O)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C45H51F2N7O5 807.943000 |
WJHSKRHFCXEXIR-GYNQPNTFSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206036
|
Local ready
Direct docking supported
|
|
E3L008332
BDB008332
|
BDBM206037
COc1cc(N2CCC(CN3CCN(c4ccc(C(=O)N[C@H]5CCC(=O)NC5=O)nc4)CC3)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C42H50F2N8O4 768.910000 |
OYMOSSFRFJBEGC-BIJHJSMCSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206037
|
Local ready
Direct docking supported
|
|
E3L008333
BDB008333
|
BDBM206038
COc1cc(N2CCC(CN3CCN4c5cc6c(cc5OC[C@@H]4C3)C(=O)N([C@@H]3CCC(=O)NC3=O)C6)CC2)ccc1[C@H]1c2[nH]c3ccccc3c2C[C@H](C)N1CC(F)F
|
C45H51F2N7O5 807.943000 |
ZHTPIQFRAPUAAQ-MIRUVJISSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206038
|
Local ready
Direct docking supported
|
|
E3L008334
BDB008334
|
BDBM206041
COc1cc(N2CCC(CN3CCN4c5ccc6c(c5OC[C@@H]4C3)CN([C@H]3CCC(=O)NC3=O)C6=O)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C45H51F2N7O5 807.943000 |
WJHSKRHFCXEXIR-NEOCNPILSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206041
|
Local ready
Direct docking supported
|
|
E3L008335
BDB008335
|
BDBM206042
COc1cc(N2CCC(CN3CCN(c4ccc(C5CCC(=O)NC5=O)cc4)CC3)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C42H50F2N6O3 724.897000 |
JFMHDGSSQOZYFW-KREQAABHSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206042
|
Local ready
Direct docking supported
|
|
E3L008336
BDB008336
|
BDBM206043
COc1cc(N2CCC(CN3CCN4c5cc6c(cc5OC[C@@H]4C3)C(=O)N([C@@H]3CCC(=O)NC3=O)C6)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C45H51F2N7O5 807.943000 |
ZHTPIQFRAPUAAQ-URGLSUMQSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206043
|
Local ready
Direct docking supported
|
|
E3L008337
BDB008337
|
BDBM206046
COc1cc(N2CCC(CN3CCN4c5cc6c(cc5OC[C@H]4C3)C(=O)N([C@@H]3CCC(=O)NC3=O)C6)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C45H51F2N7O5 807.943000 |
ZHTPIQFRAPUAAQ-MGYMTXTNSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206046
|
Local ready
Direct docking supported
|
|
E3L008338
BDB008338
|
BDBM206048
COc1cc(N2CCC(CN3CCN4c5ccc6c(c5OC[C@H]4C3)CN([C@H]3CCC(=O)NC3=O)C6=O)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(C)(C)F
|
C47H56FN7O5 818.007000 |
AEBNLOFIJHRQAU-QHRXRKQCSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206048
|
Local ready
Direct docking supported
|
|
E3L008339
BDB008339
|
BDBM206050
COc1cc(N2CCC3(CCN(C(=O)CN4Cc5cnc(C(=O)N[C@H]6CCC(=O)NC6=O)cc5C4)CC3)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2CCN1CC(C)F
|
C45H53FN8O5 804.968000 |
SLSOWOBXZVNTTI-RYYSVFADSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206050
|
Local ready
Direct docking supported
|
|
E3L008340
BDB008340
|
BDBM206052
COc1cc(N2CCC(CN3CCN4c5ccc(C(=O)NC6CCC(=O)NC6=O)nc5OC[C@H]4C3)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C43H50F2N8O5 796.920000 |
VPOZGRAOIJNXPP-OOZCVECZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206052
|
Local ready
Direct docking supported
|