| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L039481
BDB039481
|
BDBM756016
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5nccc(OC6CCC6)c5n4)ccc3C2=O)C(=O)N1
|
C30H31N5O4 525.609000 |
LWMOEVAJJQFFGJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756016; PubChem:CID169206732
|
Local ready
Direct docking supported
|
|
E3L039482
BDB039482
|
BDBM756017
CC(C)C1CCN(Cc2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc3[nH]ccc23)C1
|
C28H31N5O3 485.588000 |
BOFMQMFPERMOIH-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756017; PubChem:CID169206788
|
Local ready
Direct docking supported
|
|
E3L039483
BDB039483
|
BDBM756018
CC(C)n1ccc2c(CN3CCCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C28H31N5O3 485.588000 |
FGSPGFWSCUXAGK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756018; PubChem:CID169206296
|
Local ready
Direct docking supported
|
|
E3L039484
BDB039484
|
BDBM756019
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5ccn(Cc6ccccc6)c5n4)ccc3C2=O)C(=O)N1
|
C32H31N5O3 533.632000 |
WFRFAHADPXVAED-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756019; PubChem:CID169206661
|
Local ready
Direct docking supported
|
|
E3L039485
BDB039485
|
BDBM756020
Cn1ccc2c(CN3CCC(S(C)(=O)=O)CC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C28H31N5O5S 549.653000 |
GZBKDIIKTVDYRR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756020; PubChem:CID169206610
|
Local ready
Direct docking supported
|
|
E3L039486
BDB039486
|
BDBM756021
CC#CCn1ccc2c(CN3CCCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C29H29N5O3 495.583000 |
SMYHEHMAJZJCLN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756021; PubChem:CID169206229
|
Local ready
Direct docking supported
|
|
E3L039487
BDB039487
|
BDBM756022
Cn1ccc2c(CN3CCC(F)CC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C27H28FN5O3 489.551000 |
COTHSDBUTYWKDY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756022; PubChem:CID169206779
|
Local ready
Direct docking supported
|
|
E3L039488
BDB039488
|
BDBM756023
CN(C)C(=O)Cn1ccc2c(CN3CCCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C29H32N6O4 528.613000 |
YNXAOOICWBSURR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756023; PubChem:CID169206483
|
Local ready
Direct docking supported
|
|
E3L039489
BDB039489
|
BDBM756024
Cn1ccc2c(CN3CCCCCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C28H31N5O3 485.588000 |
RIAFQNGVODWPOH-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756024; PubChem:CID169206874
|
Local ready
Direct docking supported
|
|
E3L039490
BDB039490
|
BDBM756025
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5ccn(C6CCCC6)c5n4)ccc3C2=O)C(=O)N1
|
C30H33N5O3 511.626000 |
CHBWCEPNWMPTLS-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756025; PubChem:CID169206756
|
Local ready
Direct docking supported
|
|
E3L039491
BDB039491
|
BDBM756026
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5ccn(C6CCOC6)c5n4)ccc3C2=O)C(=O)N1
|
C29H31N5O4 513.598000 |
BFWWDZTZMAABEL-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756026; PubChem:CID169206588
|
Local ready
Direct docking supported
|
|
E3L039492
BDB039492
|
BDBM756027
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC(CO)C5)c5ccn(C6CC6)c5n4)ccc3C2=O)C(=O)N1
|
C29H31N5O4 513.598000 |
SMAPERWZKFEOEE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756027; PubChem:CID169206252
|
Local ready
Direct docking supported
|
|
E3L039493
BDB039493
|
BDBM756028
Cn1ccc2c(CN3CCC(O)C3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C26H27N5O4 473.533000 |
BOKYWEKAQLBJNI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756028; PubChem:CID169206723
|
Local ready
Direct docking supported
|
|
E3L039494
BDB039494
|
BDBM756029
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC5)c5[nH]ccc5n4)ccc3C2=O)C(=O)N1
|
C24H23N5O3 429.480000 |
UMIGRDGLINIOMX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756029; PubChem:CID169206392
|
Local ready
Direct docking supported
|
|
E3L039495
BDB039495
|
BDBM756030
Cn1ccc2c(CN3CCC(F)C3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C26H26FN5O3 475.524000 |
DFQRLHFGANGDPZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756030; PubChem:CID169206487
|
Local ready
Direct docking supported
|
|
E3L039496
BDB039496
|
BDBM756031
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC(F)C5)c5ccn(C6COC6)c5n4)ccc3C2=O)C(=O)N1
|
C28H28FN5O4 517.561000 |
BYJOKTIMKUBQSB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756031; PubChem:CID169206035
|
Local ready
Direct docking supported
|
|
E3L039497
BDB039497
|
BDBM756032
Cn1ccc2c(CN3CCC(O)CC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C27H29N5O4 487.560000 |
ZGKMRFTWHDBXJT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756032; PubChem:CID169206080
|
Local ready
Direct docking supported
|
|
E3L039498
BDB039498
|
BDBM756033
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC(O)C5)c5ccn(C6COC6)c5n4)ccc3C2=O)C(=O)N1
|
C28H29N5O5 515.570000 |
XVLGJKZSOFOVMK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756033; PubChem:CID169206692
|
Local ready
Direct docking supported
|
|
E3L039499
BDB039499
|
BDBM756034
Cn1ccc2c(CN3CC(O)C3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C25H25N5O4 459.506000 |
TXVZPFXGXXEEEM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756034; PubChem:CID169206168
|
Local ready
Direct docking supported
|
|
E3L039500
BDB039500
|
BDBM756035
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC(O)CC5)c5ccn(C6CC6)c5n4)ccc3C2=O)C(=O)N1
|
C29H31N5O4 513.598000 |
RFOXHQJGVWJEIA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756035; PubChem:CID169206774
|
Local ready
Direct docking supported
|