| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L039501
BDB039501
|
BDBM756037
O=C1CCC(N2Cc3cc(-c4cc(CN5CC(O)C5)c5ccn(C6COC6)c5n4)ccc3C2=O)C(=O)N1
|
C27H27N5O5 501.543000 |
GHHGBMGYYBBGIX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756037; PubChem:CID169206600
|
Local ready
Direct docking supported
|
|
E3L039502
BDB039502
|
BDBM756038
Cn1ccc2c(CN3CC4CCC(C4)C3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C29H31N5O3 497.599000 |
LMSHLJIGUYWMCW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756038; PubChem:CID169206279
|
Local ready
Direct docking supported
|
|
E3L039503
BDB039503
|
BDBM756039
O=C1CCC(N2Cc3cc(-c4cc(CN5CC(F)C5)c5ccn(C6COC6)c5n4)ccc3C2=O)C(=O)N1
|
C27H26FN5O4 503.534000 |
UKWVRLNCQFNULL-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756039; PubChem:CID169206581
|
Local ready
Direct docking supported
|
|
E3L039504
BDB039504
|
BDBM756040
Cn1ccc2c(CN3CCC(C#N)CC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C28H28N6O3 496.571000 |
ARZWOYZCAHBFNI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756040; PubChem:CID169206482
|
Local ready
Direct docking supported
|
|
E3L039505
BDB039505
|
BDBM756041
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC(O)CC5)c5ccn(C6COC6)c5n4)ccc3C2=O)C(=O)N1
|
C29H31N5O5 529.597000 |
SNCXWHBBJPDXRK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756041; PubChem:CID169206250
|
Local ready
Direct docking supported
|
|
E3L039506
BDB039506
|
BDBM756042
Cn1ncc2nc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc(CN3CCCC3)c21
|
C25H26N6O3 458.522000 |
PPUSFOUJLXPSMK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756042; PubChem:CID169206646
|
Local ready
Direct docking supported
|
|
E3L039507
BDB039507
|
BDBM756043
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC(CO)CC5)c5ccn(C6COC6)c5n4)ccc3C2=O)C(=O)N1
|
C30H33N5O5 543.624000 |
FCIXWXKXTJONQN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756043; PubChem:CID169206069
|
Local ready
Direct docking supported
|
|
E3L039508
BDB039508
|
BDBM756044
CN1C2CCC1CN(Cc1cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc3c1ccn3C)C2
|
C29H32N6O3 512.614000 |
HXXVPZCRGAMYDT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756044; PubChem:CID169206690
|
Local ready
Direct docking supported
|
|
E3L039509
BDB039509
|
BDBM756045
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC(CO)C5)c5ccn(C6COC6)c5n4)ccc3C2=O)C(=O)N1
|
C29H31N5O5 529.597000 |
PZIHGLPPEUHVDA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756045; PubChem:CID169206367
|
Local ready
Direct docking supported
|
|
E3L039510
BDB039510
|
BDBM756046
O=C1CCC(N2Cc3cc(-c4ncn5ccc(CN6CCCC6)cc45)ccc3C2=O)C(=O)N1
|
C25H25N5O3 443.507000 |
LFFSMFWYUCNEOT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756046; PubChem:CID169206025
|
Local ready
Direct docking supported
|
|
E3L039511
BDB039511
|
BDBM756047
O=C1CCC(N2Cc3cc(-c4cc(CN5CC(CO)C5)c5ccn(C6COC6)c5n4)ccc3C2=O)C(=O)N1
|
C28H29N5O5 515.570000 |
RFBVCPABFQKZJD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756047; PubChem:CID169206681
|
Local ready
Direct docking supported
|
|
E3L039512
BDB039512
|
BDBM756048
CNc1nc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc(CN2CCCC2)c1C=N
|
C25H28N6O3 460.538000 |
ZNXZOERHUQCLOI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756048; PubChem:CID176808684
|
Local ready
Direct docking supported
|
|
E3L039513
BDB039513
|
BDBM756049
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5ccn(C6CCCCC6)c5n4)ccc3C2=O)C(=O)N1
|
C31H35N5O3 525.653000 |
GHMDXWYELQPFKH-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756049; PubChem:CID169206218
|
Local ready
Direct docking supported
|
|
E3L039514
BDB039514
|
BDBM756050
CN/C=C1/N=C(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C=C(CN2CCCC2)C1=N
|
C25H28N6O3 460.538000 |
ISKGLRFUVXILSK-LUCDKTHESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM756050
|
Local ready
Direct docking supported
|
|
E3L039515
BDB039515
|
BDBM756051
CN(C)C(=O)CC1CCN(Cc2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc3[nH]ccc23)C1
|
C29H32N6O4 528.613000 |
FPJHFMXJJZVNMC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756051; PubChem:CID169206615
|
Local ready
Direct docking supported
|
|
E3L039516
BDB039516
|
BDBM756052
CN/C=C1\C(=N)N=C(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C=C1CN1CCCC1
|
C25H28N6O3 460.538000 |
HOULQYMMEXFXEI-JIGGIXHTSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM756052
|
Local ready
Direct docking supported
|
|
E3L039517
BDB039517
|
BDBM756053
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5ccn(C6CNC6)c5n4)ccc3C2=O)C(=O)N1
|
C28H30N6O3 498.587000 |
KLGSVOXWPZEEEP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756053; PubChem:CID169206341
|
Local ready
Direct docking supported
|
|
E3L039518
BDB039518
|
BDBM756054
N=C1N=C(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C=C(CN2CCCC2)/C1=C/NC1CCC1
|
C28H32N6O3 500.603000 |
BFRTZMQZRZIVRE-BOJMXSMESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM756054
|
Local ready
Direct docking supported
|
|
E3L039519
BDB039519
|
BDBM756055
CN1CC(n2ccc3c(CN4CCCC4)cc(-c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)nc32)C1
|
C29H32N6O3 512.614000 |
ZIUTVCHYWRYGCM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756055; PubChem:CID169206548
|
Local ready
Direct docking supported
|
|
E3L039520
BDB039520
|
BDBM756056
N=C1N=C(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C=C(CN2CCCC2)/C1=C/NC1COC1
|
C27H30N6O4 502.575000 |
WOZYGARMCNITPX-GPMZMWEESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM756056
|
Local ready
Direct docking supported
|