| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L039321
BDB039321
|
BDBM755838
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5c5ccccc5)cc5nncn45)ccc3C2=O)C(=O)N1
|
C30H28N6O3 520.593000 |
ZVPDDTDQGBZWLI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755838; PubChem:CID169206598
|
Local ready
Direct docking supported
|
|
E3L039322
BDB039322
|
BDBM755839
O=C1CCC(N2Cc3cc(-c4cc(CN5CC6COCC(C6)C5)cc5cncn45)ccc3C2=O)C(=O)N1
|
C28H29N5O4 499.571000 |
AUNWBZLHFXWJAN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755839; PubChem:CID169206540
|
Local ready
Direct docking supported
|
|
E3L039323
BDB039323
|
BDBM755840
Cn1cnc2c(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc(CNCCc3ccccc3Cl)cc21
|
C30H28ClN5O3 542.039000 |
HZTGZHRBDWGKKB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755840; PubChem:CID169206664
|
Local ready
Direct docking supported
|
|
E3L039324
BDB039324
|
BDBM755841
CCN(CC)Cc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)n2cncc2c1
|
C25H27N5O3 445.523000 |
UBBJCZIHWBUUHL-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755841; PubChem:CID169206359
|
Local ready
Direct docking supported
|
|
E3L039325
BDB039325
|
BDBM755842
O=C1CCC(N2Cc3cc(-c4ncc5cc(CN6CCCC6)ccn45)ccc3C2=O)C(=O)N1
|
C25H25N5O3 443.507000 |
XNDMBMIIADPBNZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755842; PubChem:CID169206160
|
Local ready
Direct docking supported
|
|
E3L039326
BDB039326
|
BDBM755843
O=C1CCC(N2Cc3cc(-c4cc(CNCc5ccccc5)cc5cncn45)ccc3C2=O)C(=O)N1
|
C28H25N5O3 479.540000 |
NYBWJJDARDHZLM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755843; PubChem:CID169206644
|
Local ready
Direct docking supported
|
|
E3L039327
BDB039327
|
BDBM755844
O=C1CCC(N2Cc3cc(-c4ncc5ccc(CN6CCCC6)cn45)ccc3C2=O)C(=O)N1
|
C25H25N5O3 443.507000 |
QTAFXDAVIHODDD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755844; PubChem:CID169206752
|
Local ready
Direct docking supported
|
|
E3L039328
BDB039328
|
BDBM755845
C[C@H](NCc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)n2cncc2c1)c1ccccc1
|
C29H27N5O3 493.567000 |
AXNCQSIWWKCFGQ-CPFIQGLUSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755845; PubChem:CID170162256
|
Local ready
Direct docking supported
|
|
E3L039329
BDB039329
|
BDBM755846
O=C1CCC(N2Cc3cc(-c4ccc(CN5CCCC5)c5cncn45)ccc3C2=O)C(=O)N1
|
C25H25N5O3 443.507000 |
DKLNETZPQKLLJM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755846; PubChem:CID169206230
|
Local ready
Direct docking supported
|
|
E3L039330
BDB039330
|
BDBM755847
C[C@@H](c1ccccc1)N(C)Cc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)n2cncc2c1
|
C30H29N5O3 507.594000 |
QTXDKOMGTODFNN-SXMXNQBWSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755847; PubChem:CID169206048
|
Local ready
Direct docking supported
|
|
E3L039331
BDB039331
|
BDBM755848
Cn1ccc2c(CN3CCCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C26H27N5O3 457.534000 |
KVQJAVVPCZGJEN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755848; PubChem:CID169206347
|
Local ready
Direct docking supported
|
|
E3L039332
BDB039332
|
BDBM755849
C[C@@H](NCc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)n2cncc2c1)c1ccccc1
|
C29H27N5O3 493.567000 |
AXNCQSIWWKCFGQ-YDONVPIESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755849; PubChem:CID169206684
|
Local ready
Direct docking supported
|
|
E3L039333
BDB039333
|
BDBM755850
Cn1ccc2c(CN3CCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C25H25N5O3 443.507000 |
JNVSCKNEWBPQNS-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755850; PubChem:CID169206040
|
Local ready
Direct docking supported
|
|
E3L039334
BDB039334
|
BDBM755851
C[C@H](c1ccccc1)N(C)Cc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)n2cncc2c1
|
C30H29N5O3 507.594000 |
QTXDKOMGTODFNN-ICCFGIFFSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755851; PubChem:CID169206226
|
Local ready
Direct docking supported
|
|
E3L039335
BDB039335
|
BDBM755852
Cn1ccc2c(CN3CCCCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C27H29N5O3 471.561000 |
IZLXEUCRZZNXIZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755852; PubChem:CID169206446
|
Local ready
Direct docking supported
|
|
E3L039336
BDB039336
|
BDBM755853
CC(C)(NCc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)n2cncc2c1)c1ccccc1
|
C30H29N5O3 507.594000 |
LXMSNFGWQBHZMH-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755853; PubChem:CID169206409
|
Local ready
Direct docking supported
|
|
E3L039337
BDB039337
|
BDBM755854
Cn1ccc2c(CN3CCOCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C26H27N5O4 473.533000 |
HOGHCAOEQUIRFA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755854; PubChem:CID169206068
|
Local ready
Direct docking supported
|
|
E3L039338
BDB039338
|
BDBM755855
CN(Cc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)n2cncc2c1)C(C)(C)c1ccccc1
|
C31H31N5O3 521.621000 |
HYQPQHANTODOGE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755855; PubChem:CID169206259
|
Local ready
Direct docking supported
|
|
E3L039339
BDB039339
|
BDBM755857
CC(NCc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)n2cncc2c1)c1cccc(Cl)c1
|
C29H26ClN5O3 528.012000 |
CAHBQMFSFAXRCO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755857; PubChem:CID169206706
|
Local ready
Direct docking supported
|
|
E3L039340
BDB039340
|
BDBM755858
Cn1ccc2c(CN3CCC(F)(F)CC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C27H27F2N5O3 507.541000 |
UMSNJYPGWNCAGO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755858; PubChem:CID169206079
|
Local ready
Direct docking supported
|