| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L039381
BDB039381
|
BDBM755899
CC1CCN(Cc2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc3c2ccn3C)CC1
|
C28H31N5O3 485.588000 |
DLBIXSMQJXFWQV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755899; PubChem:CID169206350
|
Local ready
Direct docking supported
|
|
E3L039382
BDB039382
|
BDBM755900
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5ccn(C6CCOCC6)c5n4)ccc3C2=O)C(=O)N1
|
C30H33N5O4 527.625000 |
MTMMWCHJGJYMMV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755900; PubChem:CID169206145
|
Local ready
Direct docking supported
|
|
E3L039383
BDB039383
|
BDBM755901
Cn1ccc2c(CN3CCCC3)cc(-c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4)nc21
|
C26H26FN5O3 475.524000 |
MTTRIGRQJHYJSF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755901; PubChem:CID169206539
|
Local ready
Direct docking supported
|
|
E3L039384
BDB039384
|
BDBM755902
CC(C)n1ccc2nc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc(CN3CCCC3)c21
|
C28H31N5O3 485.588000 |
WTDQDVBFASUUHU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755902; PubChem:CID169206282
|
Local ready
Direct docking supported
|
|
E3L039385
BDB039385
|
BDBM755903
Cn1ccc2c(CN3CCCC3)cc(-c3cc4c(cc3Cl)C(=O)N(C3CCC(=O)NC3=O)C4)nc21
|
C26H26ClN5O3 491.979000 |
SIXKBEPDYFFBIX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755903; PubChem:CID169206027
|
Local ready
Direct docking supported
|
|
E3L039386
BDB039386
|
BDBM755904
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5c(ccn5CCCO)n4)ccc3C2=O)C(=O)N1
|
C28H31N5O4 501.587000 |
GTFSLZKOJNTCAY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755904; PubChem:CID169206670
|
Local ready
Direct docking supported
|
|
E3L039387
BDB039387
|
BDBM755905
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC5)c5cc[nH]c5n4)ccc3C2=O)C(=O)N1
|
C24H23N5O3 429.480000 |
BJJACAIBEVHAPY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755905; PubChem:CID169206727
|
Local ready
Direct docking supported
|
|
E3L039388
BDB039388
|
BDBM755906
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5c(ccn5C5CC5)n4)ccc3C2=O)C(=O)N1
|
C28H29N5O3 483.572000 |
GKGUEPXHAHYIPS-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755906; PubChem:CID169206349
|
Local ready
Direct docking supported
|
|
E3L039389
BDB039389
|
BDBM755907
COC1CN(Cc2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc3c2ccn3C)C1
|
C26H27N5O4 473.533000 |
VHRNXGVHHHUFLV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755907; PubChem:CID169206633
|
Local ready
Direct docking supported
|
|
E3L039390
BDB039390
|
BDBM755908
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5c(ccn5CCO)n4)ccc3C2=O)C(=O)N1
|
C27H29N5O4 487.560000 |
BLPVTCJVGGKPMZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755908; PubChem:CID169206757
|
Local ready
Direct docking supported
|
|
E3L039391
BDB039391
|
BDBM755909
CC(c1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)nc2c1ccn2C)N1CCCC1
|
C27H29N5O3 471.561000 |
GUGJQMJHYFPCHL-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755909; PubChem:CID169206233
|
Local ready
Direct docking supported
|
|
E3L039392
BDB039392
|
BDBM755910
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5ccn(C6CS(=O)(=O)C6)c5n4)ccc3C2=O)C(=O)N1
|
C28H29N5O5S 547.637000 |
QDSJALGHIWFPBI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755910; PubChem:CID169206838
|
Local ready
Direct docking supported
|
|
E3L039393
BDB039393
|
BDBM755911
Cn1ccc2c(Cn3ccnc3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C25H22N6O3 454.490000 |
ZKWCSFWDFWBJQS-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755911; PubChem:CID169206613
|
Local ready
Direct docking supported
|
|
E3L039394
BDB039394
|
BDBM755912
CC(C)n1cc(N)c2nc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc(CN3CCCC3)c21
|
C28H32N6O3 500.603000 |
DOUMYVCNYIIPCJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755912; PubChem:CID176808679
|
Local ready
Direct docking supported
|
|
E3L039395
BDB039395
|
BDBM755913
Cn1ccc2c(C(=O)N3CCCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C26H25N5O4 471.517000 |
YJHSRTJKIXCJQX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755913; PubChem:CID169206034
|
Local ready
Direct docking supported
|
|
E3L039396
BDB039396
|
BDBM755914
CCn1cc(N)c2nc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc(CN3CCCC3)c21
|
C27H30N6O3 486.576000 |
ICEWQPUQRUPGAH-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755914; PubChem:CID176808683
|
Local ready
Direct docking supported
|
|
E3L039397
BDB039397
|
BDBM755915
Cn1ccc2c(CN3CCC(C(F)(F)F)CC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C28H28F3N5O3 539.558000 |
CHIWAUACVJPPFQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755915; PubChem:CID169206063
|
Local ready
Direct docking supported
|
|
E3L039398
BDB039398
|
BDBM755917
Cn1ccc2c(CN3CC4(COC4)C3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C27H27N5O4 485.544000 |
GHIQSWSCCQSMJP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755917; PubChem:CID169206611
|
Local ready
Direct docking supported
|
|
E3L039399
BDB039399
|
BDBM755918
Cn1ccc2c(CN3CCCC3)nc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C25H26N6O3 458.522000 |
VEFVRYUQZALTJR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755918; PubChem:CID169206862
|
Local ready
Direct docking supported
|
|
E3L039400
BDB039400
|
BDBM755919
CN(C)C(=O)C1CCN(Cc2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc3c2ccn3C)CC1
|
C30H34N6O4 542.640000 |
DATZQBCJKWUZBI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755919; PubChem:CID169206640
|
Local ready
Direct docking supported
|