| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L039421
BDB039421
|
BDBM755941
Cn1ccc2c(CN3CCC4(CCCC4)CC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C31H35N5O3 525.653000 |
GGVWELZQHPGEFL-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755941; PubChem:CID169206845
|
Local ready
Direct docking supported
|
|
E3L039422
BDB039422
|
BDBM755943
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5ncccc5n4)ccc3C2=O)C(=O)N1
|
C26H25N5O3 455.518000 |
CCOLEAZFXMFMKZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755943; PubChem:CID169206595
|
Local ready
Direct docking supported
|
|
E3L039423
BDB039423
|
BDBM755944
Cc1nc2c(CN3CCCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc2o1
|
C25H25N5O4 459.506000 |
PQHTUSHFUVZXRD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755944; PubChem:CID169206366
|
Local ready
Direct docking supported
|
|
E3L039424
BDB039424
|
BDBM755945
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5cn[nH]c5n4)ccc3C2=O)C(=O)N1
|
C24H24N6O3 444.495000 |
LOZGLRAWSDDYGK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755945; PubChem:CID169206143
|
Local ready
Direct docking supported
|
|
E3L039425
BDB039425
|
BDBM755946
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5c(n4)NC(=O)C5)ccc3C2=O)C(=O)N1
|
C25H25N5O4 459.506000 |
CLRAYMAPEGSNDV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755946; PubChem:CID169206376
|
Local ready
Direct docking supported
|
|
E3L039426
BDB039426
|
BDBM755947
COCC1CCCN1Cc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)nc2c1ccn2C
|
C28H31N5O4 501.587000 |
JMIBZCPXTGFLMQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755947; PubChem:CID169206436
|
Local ready
Direct docking supported
|
|
E3L039427
BDB039427
|
BDBM755949
Cn1ccc2c(CN3CCn4nccc4C3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C28H27N7O3 509.570000 |
RGYIWQJCSLBRGC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755949; PubChem:CID169206333
|
Local ready
Direct docking supported
|
|
E3L039428
BDB039428
|
BDBM755951
C[C@H]1CC[C@H](C)N1Cc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)nc2c1ccn2C
|
C28H31N5O3 485.588000 |
SQXRXDMFVNECNV-FEVSBGBPSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755951; PubChem:CID169206171
|
Local ready
Direct docking supported
|
|
E3L039429
BDB039429
|
BDBM755952
Nc1n[nH]c2c(CN3CCC(O)CC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C25H27N7O4 489.536000 |
BGFLDJOEVMSRJT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755952; PubChem:CID169206680
|
Local ready
Direct docking supported
|
|
E3L039430
BDB039430
|
BDBM755953
COCC1CCN(Cc2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc3c2ccn3C)C1
|
C28H31N5O4 501.587000 |
WMODAKIJAOOFRS-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755953; PubChem:CID169206772
|
Local ready
Direct docking supported
|
|
E3L039431
BDB039431
|
BDBM755955
Cn1ccc2nc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc(CN3CCC3)c21
|
C25H25N5O3 443.507000 |
GBJOKWXDZALLMQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755955; PubChem:CID169206638
|
Local ready
Direct docking supported
|
|
E3L039432
BDB039432
|
BDBM755957
O=C1CCC(N2Cc3cc(-c4cc(CN5CC(O)C5)c5cc[nH]c5n4)ccc3C2=O)C(=O)N1
|
C24H23N5O4 445.479000 |
JNOOKTFPAFDYDE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755957; PubChem:CID169206745
|
Local ready
Direct docking supported
|
|
E3L039433
BDB039433
|
BDBM755958
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5ncn(C6CCC6)c5n4)ccc3C2=O)C(=O)N1
|
C28H30N6O3 498.587000 |
PSINDZSJDZWNTH-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755958; PubChem:CID169206663
|
Local ready
Direct docking supported
|
|
E3L039434
BDB039434
|
BDBM755959
Cn1ccc2c(CN3CC4(CCC4)C3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C28H29N5O3 483.572000 |
ZJODJFMHEZBOKO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755959; PubChem:CID169206289
|
Local ready
Direct docking supported
|
|
E3L039435
BDB039435
|
BDBM755961
Cn1ccc2c(CN3CCCC3(C)C)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C28H31N5O3 485.588000 |
RLACRCAIPCUYER-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755961; PubChem:CID169206559
|
Local ready
Direct docking supported
|
|
E3L039436
BDB039436
|
BDBM755962
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5ncn(C6COC6)c5n4)ccc3C2=O)C(=O)N1
|
C27H28N6O4 500.559000 |
RFNCIXIXVZCMHQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755962; PubChem:CID169206223
|
Local ready
Direct docking supported
|
|
E3L039437
BDB039437
|
BDBM755963
Cn1ccc2c(N3CCCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C25H25N5O3 443.507000 |
RMTUDMXANJLSMM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755963; PubChem:CID169206058
|
Local ready
Direct docking supported
|
|
E3L039438
BDB039438
|
BDBM755965
Cn1ccc2c(CN3CCC(n4ccnc4)CC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C30H31N7O3 537.624000 |
CBLOMZLGIUILRR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755965; PubChem:CID169206033
|
Local ready
Direct docking supported
|
|
E3L039439
BDB039439
|
BDBM755966
Nc1n[nH]c2c(CN3CC(O)C3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C23H23N7O4 461.482000 |
PNPPIWULKHQIIN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755966; PubChem:CID169206734
|
Local ready
Direct docking supported
|
|
E3L039440
BDB039440
|
BDBM755967
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC(F)CC5)c5cc[nH]c5n4)ccc3C2=O)C(=O)N1
|
C26H26FN5O3 475.524000 |
JIALQMNBBFKBAB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755967; PubChem:CID169206389
|
Local ready
Direct docking supported
|