| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L033001
BDB033001
|
BDBM655772
Cc1nc(NC(=O)c2ccccc2NC(=O)CCCCCN)sc1[N+](=O)[O-]
|
C17H21N5O4S 391.453000 |
LJZWAUPLSBUEIP-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655772; PubChem:CID167361748
|
Local ready
Direct docking supported
|
|
E3L033002
BDB033002
|
BDBM655773
Cc1nc(NC(=O)c2ccccc2NC(=O)CCOCCOCCCOCCN)sc1[N+](=O)[O-]
|
C21H29N5O7S 495.558000 |
IULLNUONTNMOPE-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655773; PubChem:CID167361542
|
Local ready
Direct docking supported
|
|
E3L033003
BDB033003
|
BDBM655774
NCCOCCCOCCOCCC(=O)Nc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1
|
C20H27N5O7S 481.531000 |
RHTPCWDDGCEGLQ-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655774; PubChem:CID167361823
|
Local ready
Direct docking supported
|
|
E3L033004
BDB033004
|
BDBM655775
CC(=O)Nc1cc(C(=O)NCCCCCCN)ccc1C(=O)Nc1nc(C)c([N+](=O)[O-])s1
|
C20H26N6O5S 462.532000 |
INAFUMKMDVPECJ-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655775; PubChem:CID167361695
|
Local ready
Direct docking supported
|
|
E3L033005
BDB033005
|
BDBM655776
CC(=O)Nc1cc(C(=O)NCCOCCOCCOCCN)ccc1C(=O)Nc1nc(C)c([N+](=O)[O-])s1
|
C22H30N6O8S 538.583000 |
VFYCUCSXZWIJQO-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655776; PubChem:CID167361446
|
Local ready
Direct docking supported
|
|
E3L033006
BDB033006
|
BDBM655777
CC(=O)Nc1cc(C(=O)NCCOCCOCCOCCN)ccc1C(=O)Nc1ncc([N+](=O)[O-])s1
|
C21H28N6O8S 524.556000 |
XSFTUDVXWAAOIV-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655777; PubChem:CID167361955
|
Local ready
Direct docking supported
|
|
E3L033007
BDB033007
|
BDBM655778
CC(=O)Nc1cc(NCCCCCCCN)ccc1C(=O)Nc1nc(C)c([N+](=O)[O-])s1
|
C20H28N6O4S 448.549000 |
BOUVODJOYSDYBV-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655778; PubChem:CID167361716
|
Local ready
Direct docking supported
|
|
E3L033008
BDB033008
|
BDBM655779
CC(=O)Nc1cc(NCCOCCOCCOCCN)ccc1C(=O)Nc1nc(C)c([N+](=O)[O-])s1
|
C21H30N6O7S 510.573000 |
IQEMBIUCBLNXAX-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655779; PubChem:CID167361781
|
Local ready
Direct docking supported
|
|
E3L033009
BDB033009
|
BDBM655780
CC(=O)Nc1cc(NCCOCCOCCOCCN)ccc1C(=O)Nc1ncc([N+](=O)[O-])s1
|
C20H28N6O7S 496.546000 |
QYNJELQAAUPEDQ-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655780; PubChem:CID167361840
|
Local ready
Direct docking supported
|
|
E3L033010
BDB033010
|
BDBM655781
CC(=O)Nc1cc(NCCCCN)ccc1C(=O)Nc1nc(C)c([N+](=O)[O-])s1
|
C17H22N6O4S 406.468000 |
HSQVQURXJWPOAG-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655781; PubChem:CID167361665
|
Local ready
Direct docking supported
|
|
E3L033011
BDB033011
|
BDBM655782
CC(=O)Nc1cc(NCCCCN)ccc1C(=O)Nc1ccc([N+](=O)[O-])s1
|
C17H21N5O4S 391.453000 |
JXQIDPFMQTYNCI-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655782; PubChem:CID167361883
|
Local ready
Direct docking supported
|
|
E3L033012
BDB033012
|
BDBM655783
CC(=O)Nc1cc(NCCCCNC(=O)CN2CCC(n3nc(N4CCCc5cc(-c6cnn(C)c6)c(C(F)F)cc54)c4c3CCN(C(C)=O)C4)CC2)ccc1C(=O)Nc1nc(C)c([N+](=O)[O-])s1
|
C46H55F2N13O6S 956.094000 |
AGMGQNJRFSRFIT-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM655783
|
Local ready
Direct docking supported
|
|
E3L033013
BDB033013
|
BDBM655784
CC(=O)Nc1cc(NCCOCCNC(=O)CN2CCC(n3nc(N4CCCc5cc(-c6cnn(C)c6)c(C(F)F)cc54)c4c3CCN(C(C)=O)C4)CC2)ccc1C(=O)Nc1nc(C)c(N=O)s1
|
C46H55F2N13O6S 956.094000 |
MVNPBJOUOKQBEN-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM655784
|
Local ready
Direct docking supported
|
|
E3L033014
BDB033014
|
BDBM655785
CC(=O)Nc1cc(NCCCCNC(=O)CN2CCC(n3nc(N4CCCc5cc(-c6cnn(C)c6)c(C(F)F)cc54)c4c3CCN(C(C)=O)C4)CC2)ccc1C(=O)Nc1ccc([N+](=O)[O-])s1
|
C46H54F2N12O6S 941.079000 |
JXDUQPGSAIEISB-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM655785
|
Local ready
Direct docking supported
|
|
E3L033015
BDB033015
|
BDBM655786
CC(=O)Nc1cc(NCCOCCOCCOCCOCCNC(=O)CN2CCN(c3cccc(-c4cnc5ccc(N6CCC[C@@H]6c6cccc(F)c6)nn45)n3)CC2)ccc1C(=O)Nc1nc(C)c([N+](=O)[O-])s1
|
C50H60FN13O9S 1038.177000 |
DVYFQRWHMXLACB-HUESYALOSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM655786
|
Local ready
Direct docking supported
|
|
E3L033016
BDB033016
|
BDBM655787
CC(=O)Nc1cc(NCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)ccc1C(=O)Nc1nc(C)c([N+](=O)[O-])s1
|
C34H33ClN10O5S2 761.290000 |
DEMPDAQTCXSRCU-SANMLTNESA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM655787
|
Local ready
Direct docking supported
|
|
E3L033017
BDB033017
|
BDBM655788
CC(=O)Nc1cc(NCCCCCCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)ccc1C(=O)Nc1nc(C)c([N+](=O)[O-])s1
|
C39H43ClN10O5S2 831.425000 |
DUQFYGCCXKJWRL-HKBQPEDESA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM655788
|
Local ready
Direct docking supported
|
|
E3L033018
BDB033018
|
BDBM655789
CC(=O)Nc1cc(NCCCCCCCCCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)ccc1C(=O)Nc1nc(C)c([N+](=O)[O-])s1
|
C42H49ClN10O5S2 873.506000 |
FZYVSXZKSAXGIA-UMSFTDKQSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM655789
|
Local ready
Direct docking supported
|
|
E3L033019
BDB033019
|
BDBM655790
CC(=O)Nc1cc(NCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)ccc1C(=O)Nc1nc(C)c([N+](=O)[O-])s1
|
C36H37ClN10O6S2 805.343000 |
SWBVTASGOAFCDX-NDEPHWFRSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM655790
|
Local ready
Direct docking supported
|
|
E3L033020
BDB033020
|
BDBM655791
CC(=O)Nc1cc(NCCOCCOCCOCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)ccc1C(=O)Nc1nc(C)c([N+](=O)[O-])s1
|
C42H49ClN10O9S2 937.502000 |
VOFNMIFMFRBLCY-UMSFTDKQSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM655791
|
Local ready
Direct docking supported
|