| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L039341
BDB039341
|
BDBM755859
O=C1CCC(N2Cc3cc(-c4cc(CNCCc5ccccc5Cl)cc5cncn45)ccc3C2=O)C(=O)N1
|
C29H26ClN5O3 528.012000 |
BMJHVDFWDJBKPV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755859; PubChem:CID169206103
|
Local ready
Direct docking supported
|
|
E3L039342
BDB039342
|
BDBM755860
Cn1ccc2c(CN3CCN(S(C)(=O)=O)CC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C27H30N6O5S 550.641000 |
ULDTWZXPOVPWEF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755860; PubChem:CID170171703
|
Local ready
Direct docking supported
|
|
E3L039343
BDB039343
|
BDBM755861
Cc1ccc(CCNCc2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)n3cncc3c2)cc1Cl
|
C30H28ClN5O3 542.039000 |
NTAWVYHUEVWIMV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755861; PubChem:CID169206330
|
Local ready
Direct docking supported
|
|
E3L039344
BDB039344
|
BDBM755862
Cn1ccc2c(CN3CCSCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C26H27N5O3S 489.601000 |
IRLAFHJYLVSRCG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755862; PubChem:CID169206553
|
Local ready
Direct docking supported
|
|
E3L039345
BDB039345
|
BDBM755863
CC(NCc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)n2cncc2c1)c1ccccc1Cl
|
C29H26ClN5O3 528.012000 |
MFXIXPDNGMCPNX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755863; PubChem:CID169206217
|
Local ready
Direct docking supported
|
|
E3L039346
BDB039346
|
BDBM755864
Cn1ccc2c(CN3CC4COCC4C3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C28H29N5O4 499.571000 |
LBGVPFIKSQWMLE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755864; PubChem:CID169206334
|
Local ready
Direct docking supported
|
|
E3L039347
BDB039347
|
BDBM755865
O=C1CCC(N2Cc3cc(-c4cc(CNCc5cccc6ccccc56)cc5cncn45)ccc3C2=O)C(=O)N1
|
C32H27N5O3 529.600000 |
IMKYWQBCXVSGJB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755865; PubChem:CID169206052
|
Local ready
Direct docking supported
|
|
E3L039348
BDB039348
|
BDBM755866
Cn1ccc2c(CN3CCC4(CC3)CC4)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C29H31N5O3 497.599000 |
ZJEJDINLQOAYNF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755866; PubChem:CID169206388
|
Local ready
Direct docking supported
|
|
E3L039349
BDB039349
|
BDBM755867
Cn1ccc2cccc(CNCc3cc(-c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)n4cncc4c3)c21
|
C31H28N6O3 532.604000 |
GMZXDAOKJNARST-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755867; PubChem:CID169206563
|
Local ready
Direct docking supported
|
|
E3L039350
BDB039350
|
BDBM755868
Cn1ccc2c(CN3CCc4ccccc4C3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C31H29N5O3 519.605000 |
BDIBYWOPIYBUCN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755868; PubChem:CID170171872
|
Local ready
Direct docking supported
|
|
E3L039351
BDB039351
|
BDBM755869
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5c5ccccc5)cc5cncn45)ccc3C2=O)C(=O)N1
|
C31H29N5O3 519.605000 |
HIHADFDYFGBMEV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755869; PubChem:CID169206674
|
Local ready
Direct docking supported
|
|
E3L039352
BDB039352
|
BDBM755870
Cn1ccc2c(CN3CC4CC4C3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C27H27N5O3 469.545000 |
VVBIWIBUDLRUKQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755870; PubChem:CID169206835
|
Local ready
Direct docking supported
|
|
E3L039353
BDB039353
|
BDBM755871
O=C1CCC(N2Cc3c(ccc(-c4cc(CN5CCCC5)cc5cncn45)c3F)C2=O)C(=O)N1
|
C25H24FN5O3 461.497000 |
VVMFUKWCCFEKDL-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755871; PubChem:CID169206761
|
Local ready
Direct docking supported
|
|
E3L039354
BDB039354
|
BDBM755872
Cn1ccc2c(CN3Cc4ccccc4C3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C30H27N5O3 505.578000 |
LYERLHULIPUVKE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755872; PubChem:CID169206448
|
Local ready
Direct docking supported
|
|
E3L039355
BDB039355
|
BDBM755873
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)cc5cncn45)cc(F)c3C2=O)C(=O)N1
|
C25H24FN5O3 461.497000 |
HSKJRUGVYTWHFP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755873; PubChem:CID169206494
|
Local ready
Direct docking supported
|
|
E3L039356
BDB039356
|
BDBM755874
Cn1ccc2c(CN3CCS(=O)(=O)CC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C26H27N5O5S 521.599000 |
DSTCQQYFZADELZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755874; PubChem:CID169206332
|
Local ready
Direct docking supported
|
|
E3L039357
BDB039357
|
BDBM755875
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)cc5cncn45)c(F)cc3C2=O)C(=O)N1
|
C25H24FN5O3 461.497000 |
AXOPUSMUCXOMGJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755875; PubChem:CID169206200
|
Local ready
Direct docking supported
|
|
E3L039358
BDB039358
|
BDBM755876
Cn1ccc2c(CN3CCC4(CCC4)CC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C30H33N5O3 511.626000 |
WQNSJYUCFSOAAH-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755876; PubChem:CID169206662
|
Local ready
Direct docking supported
|
|
E3L039359
BDB039359
|
BDBM755877
COc1cc2c(cc1-c1cc(CN3CCCC3)cc3cncn13)CN(C1CCC(=O)NC1=O)C2=O
|
C26H27N5O4 473.533000 |
NUODJAYGDYPHRA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755877; PubChem:CID169206803
|
Local ready
Direct docking supported
|
|
E3L039360
BDB039360
|
BDBM755878
Cn1ccc2c(CN3CC4COCC(C4)C3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C29H31N5O4 513.598000 |
BOJVVDUYRGYWJT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755878; PubChem:CID169206404
|
Local ready
Direct docking supported
|