| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L039401
BDB039401
|
BDBM755920
CS(=O)(=O)C1CCN(Cc2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc3c2ccn3C2COC2)CC1
|
C30H33N5O6S 591.690000 |
SDZWHTSOPZTRQC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755920; PubChem:CID169206531
|
Local ready
Direct docking supported
|
|
E3L039402
BDB039402
|
BDBM755921
COC1CCN(Cc2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc3c2ccn3C)C1
|
C27H29N5O4 487.560000 |
YQKJMSVINCCMSH-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755921; PubChem:CID169206141
|
Local ready
Direct docking supported
|
|
E3L039403
BDB039403
|
BDBM755922
O=C1CCC(N2Cc3cc(-c4cc(CN5CC6COCC6C5)c5ccn(C6COC6)c5n4)ccc3C2=O)C(=O)N1
|
C30H31N5O5 541.608000 |
SBKNIOSEDPABHI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755922; PubChem:CID169206583
|
Local ready
Direct docking supported
|
|
E3L039404
BDB039404
|
BDBM755923
Cn1ccc2c(CN3CCC(n4cccn4)CC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C30H31N7O3 537.624000 |
LSSWFCXTBUBWRV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755923; PubChem:CID169206515
|
Local ready
Direct docking supported
|
|
E3L039405
BDB039405
|
BDBM755924
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC(F)CC5)c5ccn(C6COC6)c5n4)ccc3C2=O)C(=O)N1
|
C29H30FN5O4 531.588000 |
NYGWMCOAOODSEG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755924; PubChem:CID169206258
|
Local ready
Direct docking supported
|
|
E3L039406
BDB039406
|
BDBM755925
Cn1ccc2c(CN3CCN4CCCC4C3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C29H32N6O3 512.614000 |
FOAGPHGYAGIRTF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755925; PubChem:CID169206312
|
Local ready
Direct docking supported
|
|
E3L039407
BDB039407
|
BDBM755926
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC6(CC5)COC6)c5ccn(C6COC6)c5n4)ccc3C2=O)C(=O)N1
|
C31H33N5O5 555.635000 |
WOOZSNNGRRAFTN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755926; PubChem:CID169206630
|
Local ready
Direct docking supported
|
|
E3L039408
BDB039408
|
BDBM755927
Cn1ccc2c(CN3CCC(CO)C3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C27H29N5O4 487.560000 |
MEKMBISBRYYZTH-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755927; PubChem:CID169206787
|
Local ready
Direct docking supported
|
|
E3L039409
BDB039409
|
BDBM755928
COC1CCN(Cc2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc3c2ccn3C2COC2)CC1
|
C30H33N5O5 543.624000 |
DRQYISVKLOTSKL-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755928; PubChem:CID169206254
|
Local ready
Direct docking supported
|
|
E3L039410
BDB039410
|
BDBM755929
Cn1ccc2c(Cn3cnc4ccccc43)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C29H24N6O3 504.550000 |
VNBIQDGMTPZFMJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755929; PubChem:CID169206528
|
Local ready
Direct docking supported
|
|
E3L039411
BDB039411
|
BDBM755930
CN(C)C1CCN(Cc2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc3c2ccn3C2COC2)CC1
|
C31H36N6O4 556.667000 |
ZZZCKETYVPNUPL-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755930; PubChem:CID169206829
|
Local ready
Direct docking supported
|
|
E3L039412
BDB039412
|
BDBM755931
CCn1ccc2c(CN3CCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C26H27N5O3 457.534000 |
GGONELJWOBJQIN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755931; PubChem:CID169206798
|
Local ready
Direct docking supported
|
|
E3L039413
BDB039413
|
BDBM755932
O=C1CCC(N2Cc3cc(-c4cc(CN5CC6COCC(C6)C5)c5ccn(C6COC6)c5n4)ccc3C2=O)C(=O)N1
|
C31H33N5O5 555.635000 |
ZAKPUOZUWACNSV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755932; PubChem:CID169206501
|
Local ready
Direct docking supported
|
|
E3L039414
BDB039414
|
BDBM755933
Cn1ccnc1N1CCN(Cc2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc3c2ccn3C)CC1
|
C30H32N8O3 552.639000 |
FQJLLFOCYPGIOW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755933; PubChem:CID169206730
|
Local ready
Direct docking supported
|
|
E3L039415
BDB039415
|
BDBM755934
N#CC1CCN(Cc2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc3c2ccn3C2COC2)CC1
|
C30H30N6O4 538.608000 |
KYLQTBDIXYVORD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755934; PubChem:CID169206594
|
Local ready
Direct docking supported
|
|
E3L039416
BDB039416
|
BDBM755935
Cn1ccc2c(CN3CC4(CCOCC4)C3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C29H31N5O4 513.598000 |
ZCPXGCUCZNOZMM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755935; PubChem:CID169206075
|
Local ready
Direct docking supported
|
|
E3L039417
BDB039417
|
BDBM755937
Cn1ccc2c(CN3CCCC3CO)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C27H29N5O4 487.560000 |
SSPGFXMZXMLWIW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755937; PubChem:CID169206868
|
Local ready
Direct docking supported
|
|
E3L039418
BDB039418
|
BDBM755938
Cc1nc2nc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc(CN3CCCC3)c2o1
|
C25H25N5O4 459.506000 |
DAMHCGBSSAVFCT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755938; PubChem:CID169206375
|
Local ready
Direct docking supported
|
|
E3L039419
BDB039419
|
BDBM755939
COC1CCN(Cc2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc3c2ccn3C)CC1
|
C28H31N5O4 501.587000 |
WDUSIYSBPBJPMP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755939; PubChem:CID169206869
|
Local ready
Direct docking supported
|
|
E3L039420
BDB039420
|
BDBM755940
Cc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)nc2nc(CN3CCCC3)oc12
|
C25H25N5O4 459.506000 |
LPSFJFAVGXWGLB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755940; PubChem:CID169206445
|
Local ready
Direct docking supported
|