| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L037021
BDB037021
|
BDBM733959
Cn1ccc(-n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)n1
|
C20H18N8O4 434.416000 |
MHZDXMDLXVEJSY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733959; PubChem:CID132118000
|
Local ready
Direct docking supported
|
|
E3L037022
BDB037022
|
BDBM733960
O=C1CCC(N2C(=O)c3cccc(NCc4cn([C@@H]5CCc6cc(Cl)ccc65)nn4)c3C2=O)C(=O)N1
|
C25H21ClN6O4 504.934000 |
DQDGRNYVMMLOON-FIWHBWSRSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733960; PubChem:CID132118704
|
Local ready
Direct docking supported
|
|
E3L037023
BDB037023
|
BDBM733961
CC(C)(C)OC(=O)N1CCC(N/C=C(/CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N)CC1
|
C26H33N7O6 539.593000 |
FAKLHMNUDIFVKV-LHSOJCSLSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM733961
|
Local ready
Direct docking supported
|
|
E3L037024
BDB037024
|
BDBM733962
CC(C)(C)OC(=O)N1CCC(Cn2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)CC1
|
C27H33N7O6 551.604000 |
PJBOHYABEVEPDQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733962; PubChem:CID138467571
|
Local ready
Direct docking supported
|
|
E3L037025
BDB037025
|
BDBM733963
O=C1CCC(N2C(=O)c3cccc(NCc4cn(Cc5ccc(F)cc5)nn4)c3C2=O)C(=O)N1
|
C23H19FN6O4 462.441000 |
IYJWUGNMLADVNV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733963; PubChem:CID132118281
|
Local ready
Direct docking supported
|
|
E3L037026
BDB037026
|
BDBM733964
O=C1CCC(N2C(=O)c3cccc(NCc4cn(CCN5CCOCC5)nn4)c3C2=O)C(=O)N1
|
C22H25N7O5 467.486000 |
TZEXWELUUUBXSW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733964; PubChem:CID132118332
|
Local ready
Direct docking supported
|
|
E3L037027
BDB037027
|
BDBM733965
CC(C)(C)OC(=O)N1CCC[C@H]1Cn1cc(CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1
|
C26H31N7O6 537.577000 |
BQNITFWMFKEJRP-UCFFOFKASA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733965; PubChem:CID138467274
|
Local ready
Direct docking supported
|
|
E3L037028
BDB037028
|
BDBM733966
CC(C)(C)OC(=O)N1CCCC(Cn2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)C1
|
C27H33N7O6 551.604000 |
VPKKTJMHPDUXJQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733966; PubChem:CID138467582
|
Local ready
Direct docking supported
|
|
E3L037029
BDB037029
|
BDBM733967
Cc1noc(C)c1CCn1cc(CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1
|
C23H23N7O5 477.481000 |
SPBWFOHICMUWPQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733967; PubChem:CID132118504
|
Local ready
Direct docking supported
|
|
E3L037030
BDB037030
|
BDBM733968
O=C1CCC(N2C(=O)c3cccc(NCc4cn(CC5CNC5)nn4)c3C2=O)C(=O)N1
|
C20H21N7O4 423.433000 |
BBVNTDWXYXUFCI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733968; PubChem:CID132118406
|
Local ready
Direct docking supported
|
|
E3L037031
BDB037031
|
BDBM733969
NCCn1cc(CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1
|
C18H19N7O4 397.395000 |
JNXBCPGKLWZFHM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733969; PubChem:CID132118594
|
Local ready
Direct docking supported
|
|
E3L037032
BDB037032
|
BDBM733970
COc1cc(OCC(=O)OC(C)(C)C)c2c(c1)C(=O)N(C1CCC(=O)N(C(=O)OC(C)(C)C)C1=O)C2=O
|
C25H30N2O10 518.519000 |
OWDXHTUJMIIBBI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733970; PubChem:CID132118571
|
Local ready
Direct docking supported
|
|
E3L037033
BDB037033
|
BDBM733971
COc1cc(OCC(=O)O)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C16H14N2O8 362.294000 |
MQNRUQHDPHNAGX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733971; PubChem:CID132118521
|
Local ready
Direct docking supported
|
|
E3L037034
BDB037034
|
BDBM733973
O=C1CCC(F)(N2C(=O)c3ccccc3C2=O)C(=O)N1
|
C13H9FN2O4 276.223000 |
SCJORWDJJJWLJD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733973; PubChem:CID9882050
|
Local ready
Direct docking supported
|
|
E3L037035
BDB037035
|
BDBM733975
O=C1CCC(N2Cc3c(Br)cccc3C2=O)C(=O)N1
|
C13H11BrN2O3 323.146000 |
SCZFMUWTABGOGF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733975; PubChem:CID131986901
|
Local ready
Direct docking supported
|
|
E3L037036
BDB037036
|
BDBM733976
CC(C)(C)OC(=O)N1CC(O)(C#Cc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)C1
|
C23H25N3O6 439.468000 |
QPPYETBHWRNQCK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733976; PubChem:CID137542457
|
Local ready
Direct docking supported
|
|
E3L037037
BDB037037
|
BDBM733977
CC(C)(C)OC(=O)N1CCN(Cc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)CC1
|
C23H30N4O5 442.516000 |
YJYMUFMYKUAVGE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733977; PubChem:CID132117086
|
Local ready
Direct docking supported
|
|
E3L037038
BDB037038
|
BDBM733978
O=C1CCC(N2Cc3c(CN4CCNCC4)cccc3C2=O)C(=O)N1
|
C18H22N4O3 342.399000 |
WTDGMUIBQAVXAC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733978; PubChem:CID132117211
|
Local ready
Direct docking supported
|
|
E3L037039
BDB037039
|
BDBM733979
CC(C)(C)OC(=O)N1CC=C(c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)CC1
|
C23H27N3O5 425.485000 |
NGMKIHDLEUILPO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733979; PubChem:CID132117420
|
Local ready
Direct docking supported
|
|
E3L037040
BDB037040
|
BDBM733980
CC(C)(C)OC(=O)N1CCC(c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)CC1
|
C23H29N3O5 427.501000 |
FLIPIANBGJWCIM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733980; PubChem:CID132117789
|
Local ready
Direct docking supported
|