| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L039301
BDB039301
|
BDBM755817
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3F)NC(=O)C3(CC3)O4)C(C)C2)cn1
|
C23H26FN5O3 439.491000 |
QCSRKZSCONYYTD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM755817; PubChem:CID177373538
|
Local ready
Direct docking supported
|
|
E3L039302
BDB039302
|
BDBM755818
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)cc5cncn45)ccc3C2=O)C(=O)N1
|
C25H25N5O3 443.507000 |
VSZXQOJLODKQEM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755818; PubChem:CID169206735
|
Local ready
Direct docking supported
|
|
E3L039303
BDB039303
|
BDBM755820
O=C1CCC(N2Cc3cc(-c4cc(CNCCc5c(Cl)cccc5Cl)cn5ccnc45)ccc3C2=O)C(=O)N1
|
C29H25Cl2N5O3 562.457000 |
MGVZYOOQAUTTIP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755820; PubChem:CID169206086
|
Local ready
Direct docking supported
|
|
E3L039304
BDB039304
|
BDBM755821
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC5)cc5cncn45)ccc3C2=O)C(=O)N1
|
C24H23N5O3 429.480000 |
XPBMOGACPKKSOL-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755821; PubChem:CID169206707
|
Local ready
Direct docking supported
|
|
E3L039305
BDB039305
|
BDBM755822
Cc1ccccc1CCNCc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)c2nccn2c1
|
C30H29N5O3 507.594000 |
CWWXSNCPIKMKLB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755822; PubChem:CID169206844
|
Local ready
Direct docking supported
|
|
E3L039306
BDB039306
|
BDBM755823
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCCC5)cc5cncn45)ccc3C2=O)C(=O)N1
|
C26H27N5O3 457.534000 |
AMZIYIXSXWWMMN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755823; PubChem:CID169206763
|
Local ready
Direct docking supported
|
|
E3L039307
BDB039307
|
BDBM755824
O=C1CCC(N2Cc3cc(-c4cc(CNCCc5ccccc5C(F)(F)F)cn5ccnc45)ccc3C2=O)C(=O)N1
|
C30H26F3N5O3 561.564000 |
FIJNGULNRBHNFU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755824; PubChem:CID169206470
|
Local ready
Direct docking supported
|
|
E3L039308
BDB039308
|
BDBM755825
O=C1CCC(N2Cc3cc(-c4cc(CN5CCOCC5)cc5cncn45)ccc3C2=O)C(=O)N1
|
C25H25N5O4 459.506000 |
KWCLSCMWIPHSDC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755825; PubChem:CID169206750
|
Local ready
Direct docking supported
|
|
E3L039309
BDB039309
|
BDBM755826
O=C1CCC(N2Cc3cc(-c4cc(CNCCc5ccccc5Cl)cn5ccnc45)ccc3C2=O)C(=O)N1
|
C29H26ClN5O3 528.012000 |
BOVKYRWYAARMSQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755826; PubChem:CID169206424
|
Local ready
Direct docking supported
|
|
E3L039310
BDB039310
|
BDBM755827
CC1CCCN(Cc2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)n3cncc3c2)C1
|
C27H29N5O3 471.561000 |
AULWTBUGJZVUNT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755827; PubChem:CID169206721
|
Local ready
Direct docking supported
|
|
E3L039311
BDB039311
|
BDBM755828
CC(NCc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)c2nccn2c1)c1ccccc1
|
C29H27N5O3 493.567000 |
RQIHXWQQLTVDDI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755828; PubChem:CID169206486
|
Local ready
Direct docking supported
|
|
E3L039312
BDB039312
|
BDBM755829
CC1CCN(Cc2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)n3cncc3c2)C1
|
C26H27N5O3 457.534000 |
DNQWDPVIUHKPSP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755829; PubChem:CID169206612
|
Local ready
Direct docking supported
|
|
E3L039313
BDB039313
|
BDBM755830
CC(C)(NCc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)c2nccn2c1)c1ccccc1
|
C30H29N5O3 507.594000 |
FDFCJWJSSRRXLD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755830; PubChem:CID169206481
|
Local ready
Direct docking supported
|
|
E3L039314
BDB039314
|
BDBM755831
O=C1CCC(N2Cc3cc(-c4cc(CN5CC6CC6C5)cc5cncn45)ccc3C2=O)C(=O)N1
|
C26H25N5O3 455.518000 |
WCVBQOHMJQPMNB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755831; PubChem:CID169206344
|
Local ready
Direct docking supported
|
|
E3L039315
BDB039315
|
BDBM755832
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC(c6ccccc6)CC5)cn5ccnc45)ccc3C2=O)C(=O)N1
|
C32H31N5O3 533.632000 |
SHNYYAOCAXGYSF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755832; PubChem:CID169206617
|
Local ready
Direct docking supported
|
|
E3L039316
BDB039316
|
BDBM755833
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC6(CC5)CC6)cc5cncn45)ccc3C2=O)C(=O)N1
|
C28H29N5O3 483.572000 |
MFXXQFQAUBRTIH-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755833; PubChem:CID169206720
|
Local ready
Direct docking supported
|
|
E3L039317
BDB039317
|
BDBM755834
O=C1CCC(N2Cc3cc(-c4cc(CN5CC(c6ccccc6)C5)cn5ccnc45)ccc3C2=O)C(=O)N1
|
C30H27N5O3 505.578000 |
NQZJRXNPPSCBST-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755834; PubChem:CID169206240
|
Local ready
Direct docking supported
|
|
E3L039318
BDB039318
|
BDBM755835
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC6(CCC6)CC5)cc5cncn45)ccc3C2=O)C(=O)N1
|
C29H31N5O3 497.599000 |
ILHZRUVTVVLNFX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755835; PubChem:CID169206406
|
Local ready
Direct docking supported
|
|
E3L039319
BDB039319
|
BDBM755836
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5c5ccccc5)cn5ccnc45)ccc3C2=O)C(=O)N1
|
C31H29N5O3 519.605000 |
PHJLSEVGKOHSLV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755836; PubChem:CID169206061
|
Local ready
Direct docking supported
|
|
E3L039320
BDB039320
|
BDBM755837
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC6(CC5)COC6)cc5cncn45)ccc3C2=O)C(=O)N1
|
C28H29N5O4 499.571000 |
QRCIECYJGLHTMW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755837; PubChem:CID169206551
|
Local ready
Direct docking supported
|