| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L039521
BDB039521
|
BDBM756477
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3ccsc34)CC2)c(C)n1
|
C24H25N5O2S 447.564000 |
SUFCRESGNWZKKU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756477; PubChem:CID169782150
|
Local ready
Direct docking supported
|
|
E3L039522
BDB039522
|
BDBM756478
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3occc34)CC2)c(C)n1
|
C24H25N5O3 431.496000 |
QUIUMUGBDFCYNM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756478; PubChem:CID171572836
|
Local ready
Direct docking supported
|
|
E3L039523
BDB039523
|
BDBM756516
O=C1CC[C@H](N2Cc3c(ccc4c3OCC43CCN(Cc4cnn(-c5ccc(Cl)cc5)c4C(F)(F)F)CC3)C2=O)C(=O)N1
|
C30H27ClF3N5O4 614.024000 |
YMVPZGOVZYHMFC-QHCPKHFHSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756516; PubChem:CID169201353
|
Local ready
Direct docking supported
|
|
E3L039524
BDB039524
|
BDBM756517
O=C1CC[C@H](N2Cc3c(ccc4c3OCC43CCN(Cc4cc(-c5ccc(Cl)cc5)no4)CC3)C2=O)C(=O)N1
|
C29H27ClN4O5 547.011000 |
XEKPEBJZJWWFBY-DEOSSOPVSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756517; PubChem:CID169201381
|
Local ready
Direct docking supported
|
|
E3L039525
BDB039525
|
BDBM756518
O=C1CC[C@H](N2Cc3c(ccc4c3OCC43CCN(Cc4cc(-c5ccc(Cl)cc5)ns4)CC3)C2=O)C(=O)N1
|
C29H27ClN4O4S 563.079000 |
GCMLWAFFWCCBMO-DEOSSOPVSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756518; PubChem:CID169201038
|
Local ready
Direct docking supported
|
|
E3L039526
BDB039526
|
BDBM756519
O=C1CC[C@H](N2Cc3c(ccc4c3OCC43CCN(Cc4cn(-c5ccc(Cl)cc5)nc4Cl)CC3)C2=O)C(=O)N1
|
C29H27Cl2N5O4 580.472000 |
VEGPAHRVZRKOHC-QHCPKHFHSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756519; PubChem:CID169201138
|
Local ready
Direct docking supported
|
|
E3L039527
BDB039527
|
BDBM756520
O=C1CC[C@H](N2Cc3c(ccc4c3OCC43CCN(Cc4cn(-c5ccc(Cl)cc5)nc4C(F)(F)F)CC3)C2=O)C(=O)N1
|
C30H27ClF3N5O4 614.024000 |
ZSKDXJQRFJLPKK-QHCPKHFHSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756520; PubChem:CID169201151
|
Local ready
Direct docking supported
|
|
E3L039528
BDB039528
|
BDBM756521
[2H]C([2H])(c1ccc2cn(C)nc2c1)N1CCC2(CC1)COc1c2ccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O
|
C28H29N5O4 501.583204 |
SONUFAGYWKVJLX-DIAQOESRSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756521; PubChem:CID175937242
|
Local ready
Direct docking supported
|
|
E3L039529
BDB039529
|
BDBM756522
[2H]C([2H])(c1ccc2cnn(C)c2c1)N1CCC2(CC1)COc1c2ccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O
|
C28H29N5O4 501.583204 |
SHJSBDKHMDDWIE-HKXARSDFSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756522; PubChem:CID175937292
|
Local ready
Direct docking supported
|
|
E3L039530
BDB039530
|
BDBM756523
[2H]C([2H])(c1cccc(-c2cnn(C([2H])([2H])[2H])c2)c1)N1CCC2(CC1)COc1c2ccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O
|
C30H31N5O4 530.639509 |
SITNTOVOBBQZJQ-BNBUPHTRSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM756523
|
Local ready
Direct docking supported
|
|
E3L039531
BDB039531
|
BDBM756524
[2H]C([2H])(c1cccc(-c2cnn(C(F)F)c2)c1)N1CCC2(CC1)COc1c2ccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O
|
C30H29F2N5O4 563.601204 |
AAAZUJDRLKHRJD-YNNNPBSASA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756524; PubChem:CID175937296
|
Local ready
Direct docking supported
|
|
E3L039532
BDB039532
|
BDBM756529
[2H]C([2H])(c1cccc(-c2cnn(C)c2)c1)N1CCC2(CC1)COc1c2ccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O
|
C30H31N5O4 527.621204 |
SITNTOVOBBQZJQ-VSTIHRIWSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756529; PubChem:CID175937297
|
Local ready
Direct docking supported
|
|
E3L039533
BDB039533
|
BDBM756530
[2H]C([2H])([2H])n1cc(-c2cccc(CN3CCC4(CC3)COc3c4ccc4c3CN([C@H]3CCC(=O)NC3=O)C4=O)c2)cn1
|
C30H31N5O4 528.627305 |
SITNTOVOBBQZJQ-PWQFMXDESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756530; PubChem:CID176269603
|
Local ready
Direct docking supported
|
|
E3L039534
BDB039534
|
BDBM756531
[2H]C1([2H])Oc2c(ccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)C12CCN(Cc1cccc(-c3cnn(C)c3)c1)CC2
|
C30H31N5O4 527.621204 |
SITNTOVOBBQZJQ-CTXSIFOGSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756531; PubChem:CID176808520
|
Local ready
Direct docking supported
|
|
E3L039535
BDB039535
|
BDBM756532
Cn1ccc(-c2cccc(CN3CCC4(CC3)COc3c4ccc4c3CN([C@@H]3CCC(=O)NC3=O)C4=O)c2)n1
|
C30H31N5O4 525.609000 |
YDHUVWMPOICMQP-RUZDIDTESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756532; PubChem:CID176808577
|
Local ready
Direct docking supported
|
|
E3L039536
BDB039536
|
BDBM756533
Cn1cc(-c2cccc(CN3CCC4(CC3)COc3c4cc(F)c4c3CN([C@H]3CCC(=O)NC3=O)C4=O)c2)cn1
|
C30H30FN5O4 543.599000 |
UEFFFXDIORLTHU-DEOSSOPVSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756533; PubChem:CID176269614
|
Local ready
Direct docking supported
|
|
E3L039537
BDB039537
|
BDBM756534
O=C1CC[C@H](N2Cc3c4c(cc(Cl)c3C2=O)C2(CCN(Cc3ccccc3)CC2)CO4)C(=O)N1
|
C26H26ClN3O4 479.964000 |
PDDSXXZYTHZVHD-FQEVSTJZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756534; PubChem:CID169201413
|
Local ready
Direct docking supported
|
|
E3L039538
BDB039538
|
BDBM756535
O=C1CC[C@H](N2Cc3c4c(cc(Cl)c3C2=O)C2(CCN(Cc3cccc5cn[nH]c35)CC2)CO4)C(=O)N1
|
C27H26ClN5O4 519.989000 |
BHIRPWJBLAKMOZ-FQEVSTJZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756535; PubChem:CID169201317
|
Local ready
Direct docking supported
|
|
E3L039539
BDB039539
|
BDBM756536
Cn1cc(-c2cccc(CN3CCC4(CC3)COc3c4cc(C#N)c4c3CN([C@H]3CCC(=O)NC3=O)C4=O)c2)cn1
|
C31H30N6O4 550.619000 |
UNMSNEUPNLAZTC-VWLOTQADSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756536; PubChem:CID170280613
|
Local ready
Direct docking supported
|
|
E3L039540
BDB039540
|
BDBM756537
Cc1cc2c(c3c1C(=O)N([C@H]1CCC(=O)NC1=O)C3)OCC21CCN(Cc2cccc(-c3cnn(C)c3)c2)CC1
|
C31H33N5O4 539.636000 |
BLRMYWPEDHWGSI-VWLOTQADSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756537; PubChem:CID169201024
|
Local ready
Direct docking supported
|