| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L039361
BDB039361
|
BDBM755879
COc1c(-c2cc(CN3CCCC3)cc3cncn23)ccc2c1CN(C1CCC(=O)NC1=O)C2=O
|
C26H27N5O4 473.533000 |
JIROFHNWAJDXEM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755879; PubChem:CID169206549
|
Local ready
Direct docking supported
|
|
E3L039362
BDB039362
|
BDBM755880
Cn1ccc2c(CN3CCC3c3ccccc3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C31H29N5O3 519.605000 |
LELATCVPSRIMEC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755880; PubChem:CID169206290
|
Local ready
Direct docking supported
|
|
E3L039363
BDB039363
|
BDBM755881
COc1cc(-c2cc(CN3CCCC3)cc3cncn23)cc2c1C(=O)N(C1CCC(=O)NC1=O)C2
|
C26H27N5O4 473.533000 |
QRAKWWQSDNKGLD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755881; PubChem:CID169206746
|
Local ready
Direct docking supported
|
|
E3L039364
BDB039364
|
BDBM755882
Cn1ccc2c(CN3CC4CCCC4C3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C29H31N5O3 497.599000 |
JEALQNIOSKHSGC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755882; PubChem:CID169206273
|
Local ready
Direct docking supported
|
|
E3L039365
BDB039365
|
BDBM755883
COc1cc(-c2cc(CN3CCCCC3)cn3ccnc23)cc2c1C(=O)N(C1CCC(=O)NC1=O)C2
|
C27H29N5O4 487.560000 |
VXXHTOTZXGIASO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755883; PubChem:CID176808685
|
Local ready
Direct docking supported
|
|
E3L039366
BDB039366
|
BDBM755884
Cn1ccc2c(CN3CCC4(CC3)COC4)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C29H31N5O4 513.598000 |
SXTMUPWDZDWMOU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755884; PubChem:CID170171924
|
Local ready
Direct docking supported
|
|
E3L039367
BDB039367
|
BDBM755885
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC5)cn5ccnc45)ccc3C2=O)C(=O)N1
|
C24H23N5O3 429.480000 |
QPOIVTFAVKHVRB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755885; PubChem:CID169206529
|
Local ready
Direct docking supported
|
|
E3L039368
BDB039368
|
BDBM755886
CCn1ccc2c(CN3CCCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C27H29N5O3 471.561000 |
ZGBFKXYMRUGCJF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755886; PubChem:CID169206812
|
Local ready
Direct docking supported
|
|
E3L039369
BDB039369
|
BDBM755887
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC(F)(F)CC5)cn5ccnc45)ccc3C2=O)C(=O)N1
|
C26H25F2N5O3 493.514000 |
NSEPKKSCVUBKAA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755887; PubChem:CID169206385
|
Local ready
Direct docking supported
|
|
E3L039370
BDB039370
|
BDBM755888
Cn1ccc2c(CN3CCCC3)cc(-c3ccc4c(c3F)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C26H26FN5O3 475.524000 |
PYQPTAARZMRNFF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755888; PubChem:CID169206021
|
Local ready
Direct docking supported
|
|
E3L039371
BDB039371
|
BDBM755889
CC1(C)CCN(Cc2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)c3nccn3c2)CC1
|
C28H31N5O3 485.588000 |
FTJDXNGJJGVIPF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755889; PubChem:CID169206405
|
Local ready
Direct docking supported
|
|
E3L039372
BDB039372
|
BDBM755890
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5[nH]ccc5n4)ccc3C2=O)C(=O)N1
|
C25H25N5O3 443.507000 |
RGMSKGRXFLEHTM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755890; PubChem:CID169206498
|
Local ready
Direct docking supported
|
|
E3L039373
BDB039373
|
BDBM755891
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC(C(F)(F)F)CC5)cn5ccnc45)ccc3C2=O)C(=O)N1
|
C27H26F3N5O3 525.531000 |
LTQYOZWGRGELJI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755891; PubChem:CID169206625
|
Local ready
Direct docking supported
|
|
E3L039374
BDB039374
|
BDBM755892
Cn1ccc2nc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc(CN3CCCC3)c21
|
C26H27N5O3 457.534000 |
KVOGHFAWFNYAIW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755892; PubChem:CID169206808
|
Local ready
Direct docking supported
|
|
E3L039375
BDB039375
|
BDBM755893
O=C1CCC(N2Cc3cc(-c4cc(CNCc5ccccc5Cl)cn5ccnc45)ccc3C2=O)C(=O)N1
|
C28H24ClN5O3 513.985000 |
HNIAQCHQGQQWQB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755893; PubChem:CID169206153
|
Local ready
Direct docking supported
|
|
E3L039376
BDB039376
|
BDBM755894
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5ccccc5n4)ccc3C2=O)C(=O)N1
|
C27H26N4O3 454.530000 |
GWZJXQMELWHHIR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755894; PubChem:CID169206158
|
Local ready
Direct docking supported
|
|
E3L039377
BDB039377
|
BDBM755895
O=C1CCC(N2Cc3cc(-c4cc(CNCCc5c(F)cccc5F)cn5ccnc45)ccc3C2=O)C(=O)N1
|
C29H25F2N5O3 529.547000 |
CLBUJDDOANSTHB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755895; PubChem:CID169206297
|
Local ready
Direct docking supported
|
|
E3L039378
BDB039378
|
BDBM755896
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5c(n4)CCCC5)ccc3C2=O)C(=O)N1
|
C27H30N4O3 458.562000 |
PTISXQUNRFRDMU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755896; PubChem:CID169206804
|
Local ready
Direct docking supported
|
|
E3L039379
BDB039379
|
BDBM755897
O=C1CCC(N2Cc3cc(-c4cc(CNCCc5ccc(Cl)cc5Cl)cn5ccnc45)ccc3C2=O)C(=O)N1
|
C29H25Cl2N5O3 562.457000 |
VUHHUABBNROUDO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755897; PubChem:CID169206806
|
Local ready
Direct docking supported
|
|
E3L039380
BDB039380
|
BDBM755898
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5c(n4)CCC5)ccc3C2=O)C(=O)N1
|
C26H28N4O3 444.535000 |
SCMAEFRSVXVMPT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755898; PubChem:CID169206607
|
Local ready
Direct docking supported
|