| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L025261
BDB025261
|
US11292792, Cmpd # I-3
O=C1CCC(n2c3ncccc3c3cccnc32)C(=O)N1
|
C15H12N4O2 280.287000 |
MTODSPTXTWYZOD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547692; PubChem:CID153310492
|
Local ready
Direct docking supported
|
|
E3L025262
BDB025262
|
US11292792, Cmpd # I-5
Nc1ccc2c(c1)c1cccnc1n2C1CCC(=O)NC1=O
|
C16H14N4O2 294.314000 |
KRWIOGJUXNUCPH-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547693; PubChem:CID138695036
|
Local ready
Direct docking supported
|
|
E3L025263
BDB025263
|
US11292792, Cmpd # I-8
CC(=O)Nc1ccc2c(c1)c1cccnc1n2C1CCC(=O)NC1=O
|
C18H16N4O3 336.351000 |
SPEGWVYLMHAFCS-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547694; PubChem:CID146874158
|
Local ready
Direct docking supported
|
|
E3L025264
BDB025264
|
US11292792, Cmpd # I-9
CCNC(=O)Nc1ccc2c(c1)c1cccnc1n2C1CCC(=O)NC1=O
|
C19H19N5O3 365.393000 |
LRMBOWKRHRDCQI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547695; PubChem:CID148399117
|
Local ready
Direct docking supported
|
|
E3L025265
BDB025265
|
BDBM547696
O=C1CCC(n2c3ccc(Br)cc3c3cccnc32)C(=O)N1
|
C16H12BrN3O2 358.195000 |
PPSSTFKAMONKOI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547696; PubChem:CID138695039
|
Local ready
Direct docking supported
|
|
E3L025266
BDB025266
|
US11292792, Cmpd # I-27
CNc1ccc2c(c1)c1cccnc1n2C1CCC(=O)NC1=O
|
C17H16N4O2 308.341000 |
SWMGWIBWBGCAEC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547697; PubChem:CID151919581
|
Local ready
Direct docking supported
|
|
E3L025267
BDB025267
|
US11292792, Cmpd # I-28
CN(C)c1ccc2c(c1)c1cccnc1n2C1CCC(=O)NC1=O
|
C18H18N4O2 322.368000 |
SKUXWBIPENATKG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547698; PubChem:CID151861551
|
Local ready
Direct docking supported
|
|
E3L025268
BDB025268
|
US11292792, Cmpd # I-29
CCOC(=O)Nc1ccc2c(c1)c1cccnc1n2C1CCC(=O)NC1=O
|
C19H18N4O4 366.377000 |
WGXCXXWGAWEDSR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547699; PubChem:CID152258884
|
Local ready
Direct docking supported
|
|
E3L025269
BDB025269
|
BDBM547700
O=C1CCC(n2c3cccc(Br)c3c3cccnc32)C(=O)N1
|
C16H12BrN3O2 358.195000 |
GAOCYDJAPSDHCW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547700; PubChem:CID138695791
|
Local ready
Direct docking supported
|
|
E3L025270
BDB025270
|
BDBM547701
O=C1CCC(n2c3ccccc3c3c(Br)ccnc32)C(=O)N1
|
C16H12BrN3O2 358.195000 |
WQPNIKSNFSNYGT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547701; PubChem:CID138694253
|
Local ready
Direct docking supported
|
|
E3L025271
BDB025271
|
US11292792, Cmpd # I-32
N#Cc1ccc2c(c1)c1cccnc1n2C1CCC(=O)NC1=O
|
C17H12N4O2 304.309000 |
KOORPPCPKZKWAE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547702; PubChem:CID153310441
|
Local ready
Direct docking supported
|
|
E3L025272
BDB025272
|
US11292792, Cmpd # I-33
CC(C)(C)OC(=O)NCCOCC#Cc1ccc2c(c1)c1cccnc1n2C1CCC(=O)NC1=O
|
C26H28N4O5 476.533000 |
NLQORXAFPPXHMF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547703; PubChem:CID153310493
|
Local ready
Direct docking supported
|
|
E3L025273
BDB025273
|
US11292792, Cmpd # I-34
CC(C)(C)OC(=O)NCCOCCCc1ccc2c(c1)c1cccnc1n2C1CCC(=O)NC1=O
|
C26H32N4O5 480.565000 |
UHCJVMOVLQIBJZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547704; PubChem:CID152003149
|
Local ready
Direct docking supported
|
|
E3L025274
BDB025274
|
US11292792, Cmpd # I-35
CC(C)(C)OC(=O)NCCOCCOCCNc1ccc2c(c1)c1cccnc1n2C1CCC(=O)NC1=O
|
C27H35N5O6 525.606000 |
WFXNCOGATGHYFF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547705; PubChem:CID138694161
|
Local ready
Direct docking supported
|
|
E3L025275
BDB025275
|
US11292792, Cmpd # I-36
CC(C)(C)OC(=O)NCCOCCOCC(=O)NCc1ccc2c(c1)c1cccnc1n2C1CCC(=O)NC1=O
|
C28H35N5O7 553.616000 |
DHOAPXVSNHYPNG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547706; PubChem:CID147362577
|
Local ready
Direct docking supported
|
|
E3L025276
BDB025276
|
US11292792, Cmpd # I-37
CC(C)(C)OC(=O)NCCOCCNC(=O)NCc1ccc2c(c1)c1cccnc1n2C1CCC(=O)NC1=O
|
C27H34N6O6 538.605000 |
UREMLFMHGHALLS-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547707; PubChem:CID152053410
|
Local ready
Direct docking supported
|
|
E3L025277
BDB025277
|
US11292792, Cmpd # I-38
CC(C)(C)OC(=O)NCCOCCOC(=O)NCc1ccc2c(c1)c1cccnc1n2C1CCC(=O)NC1=O
|
C27H33N5O7 539.589000 |
OGKCGPAJTUNBDI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547708; PubChem:CID151320737
|
Local ready
Direct docking supported
|
|
E3L025278
BDB025278
|
US11292792, Cmpd # I-39
Nc1cnc2c(c1)c1ccccc1n2C1CCC(=O)NC1=O
|
C16H14N4O2 294.314000 |
IUYGOJOZMUVFME-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547709; PubChem:CID150616234
|
Local ready
Direct docking supported
|
|
E3L025279
BDB025279
|
US11292792, Cmpd # I-40
CC(C)(C)OC(=O)N1CCc2c(c3cccnc3n2C2CCC(=O)NC2=O)C1
|
C20H24N4O4 384.436000 |
XKXMVIZLUBDOHD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547710; PubChem:CID153310458
|
Local ready
Direct docking supported
|
|
E3L025280
BDB025280
|
US11292792, Cmpd # I-41
O=C1CCC(N2C(=O)CN=C(c3ccccc3)c3ccccc32)C(=O)N1
|
C20H17N3O3 347.374000 |
ZEKJFFGYWAEQSY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM547711; PubChem:CID153310506
|
Local ready
Direct docking supported
|