| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L039441
BDB039441
|
BDBM755969
O=C1CCC(N2Cc3cc(-c4cc(CN5CC(F)C5)c5cc[nH]c5n4)ccc3C2=O)C(=O)N1
|
C24H22FN5O3 447.470000 |
MURATFFDFJLBRR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755969; PubChem:CID169206142
|
Local ready
Direct docking supported
|
|
E3L039442
BDB039442
|
BDBM755971
COCCn1ccc2c(CN3CCCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C28H31N5O4 501.587000 |
KSDUWPQVJIGYER-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755971; PubChem:CID169206399
|
Local ready
Direct docking supported
|
|
E3L039443
BDB039443
|
BDBM755972
Nc1n[nH]c2c(CN3CCC4(CC3)COC4)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C27H29N7O4 515.574000 |
UIOGLCMUYGTXPW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755972; PubChem:CID169206522
|
Local ready
Direct docking supported
|
|
E3L039444
BDB039444
|
BDBM755973
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5ccn(C6CC6)c5n4)ccc3C2=O)C(=O)N1
|
C28H29N5O3 483.572000 |
UVKJNUPHXJDEMM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755973; PubChem:CID169206485
|
Local ready
Direct docking supported
|
|
E3L039445
BDB039445
|
BDBM755974
O=C1CCC(N2Cc3cc(-c4nc(CN5CCCC5)c5ccn(C6CCC6)c5n4)ccc3C2=O)C(=O)N1
|
C28H30N6O3 498.587000 |
XSIPDARFZVELFT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755974; PubChem:CID169206506
|
Local ready
Direct docking supported
|
|
E3L039446
BDB039446
|
BDBM755975
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC(O)C5)c5cc[nH]c5n4)ccc3C2=O)C(=O)N1
|
C25H25N5O4 459.506000 |
SBCRTIIFSQFWJD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755975; PubChem:CID169206641
|
Local ready
Direct docking supported
|
|
E3L039447
BDB039447
|
BDBM755976
O=C1CCC(N2Cc3cc(-c4nc(CN5CCCC5)c5ccn(C6COC6)c5n4)ccc3C2=O)C(=O)N1
|
C27H28N6O4 500.559000 |
RPHPGTDMFVEUFX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755976; PubChem:CID169206480
|
Local ready
Direct docking supported
|
|
E3L039448
BDB039448
|
BDBM755977
O=C1CCC(N2Cc3cc(-c4cc(CN5CC6COCC(C6)C5)c5cc[nH]c5n4)ccc3C2=O)C(=O)N1
|
C28H29N5O4 499.571000 |
JAIFLSXDBPCLMC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755977; PubChem:CID169206815
|
Local ready
Direct docking supported
|
|
E3L039449
BDB039449
|
BDBM755978
Cn1ccc2c(O[C@@H]3CCNC3)cc(-c3ccc4c(c3)CN([C@H]3CCC(=O)NC3=O)C4=O)nc21
|
C25H25N5O4 459.506000 |
GMDUACQWGCPJAZ-UZLBHIALSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755978; PubChem:CID169206833
|
Local ready
Direct docking supported
|
|
E3L039450
BDB039450
|
BDBM755979
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5cc[nH]c5n4)c(F)cc3C2=O)C(=O)N1
|
C25H24FN5O3 461.497000 |
HXJYEKDYIWNCCQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755979; PubChem:CID169206216
|
Local ready
Direct docking supported
|
|
E3L039451
BDB039451
|
BDBM755980
O=C1CCC(N2Cc3cc(-c4nc5[nH]ccc5c(CN5CCCC5)c4Cl)ccc3C2=O)C(=O)N1
|
C25H24ClN5O3 477.952000 |
DZZJEKHBJZXYTQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755980; PubChem:CID169206161
|
Local ready
Direct docking supported
|
|
E3L039452
BDB039452
|
BDBM755981
CN(C)CC1CCN(Cc2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc3[nH]ccc23)C1
|
C28H32N6O3 500.603000 |
BSDUUZNIULMODX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755981; PubChem:CID169206656
|
Local ready
Direct docking supported
|
|
E3L039453
BDB039453
|
BDBM755982
O=C1CCC(N2Cc3c(ccc(-c4cc(CN5CCCC5)c5ccn(C6CS(=O)(=O)C6)c5n4)c3F)C2=O)C(=O)N1
|
C28H28FN5O5S 565.627000 |
CFMAQLLWUOORAA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755982; PubChem:CID169206627
|
Local ready
Direct docking supported
|
|
E3L039454
BDB039454
|
BDBM755983
CCn1ccc2nc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc(CN3CCC3)c21
|
C26H27N5O3 457.534000 |
MPMGBJYXRHTGTN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755983; PubChem:CID169206147
|
Local ready
Direct docking supported
|
|
E3L039455
BDB039455
|
BDBM755984
O=C1CCC(N2Cc3c(ccc(-c4cc(CN5CCCC5)c5ccn(C6COC6)c5n4)c3F)C2=O)C(=O)N1
|
C28H28FN5O4 517.561000 |
UWRCABIGVPGEPE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755984; PubChem:CID169206645
|
Local ready
Direct docking supported
|
|
E3L039456
BDB039456
|
BDBM755985
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC(O)CC5)c5cc[nH]c5n4)ccc3C2=O)C(=O)N1
|
C26H27N5O4 473.533000 |
YVFAQOYZEUUZKV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755985; PubChem:CID169206591
|
Local ready
Direct docking supported
|
|
E3L039457
BDB039457
|
BDBM755987
O=C1CCC(N2Cc3c(ccc(-c4cc(CN5CCCC5)c5cc[nH]c5n4)c3F)C2=O)C(=O)N1
|
C25H24FN5O3 461.497000 |
WSZLKCWKVIZFCF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755987; PubChem:CID169206857
|
Local ready
Direct docking supported
|
|
E3L039458
BDB039458
|
BDBM755988
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5ncn(C6CS(=O)(=O)C6)c5n4)ccc3C2=O)C(=O)N1
|
C27H28N6O5S 548.625000 |
ZPIATVKVVCHOEK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755988; PubChem:CID169206604
|
Local ready
Direct docking supported
|
|
E3L039459
BDB039459
|
BDBM755989
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC(F)C5)c5cc[nH]c5n4)ccc3C2=O)C(=O)N1
|
C25H24FN5O3 461.497000 |
KSWHMRLPCRNWBR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755989; PubChem:CID169206513
|
Local ready
Direct docking supported
|
|
E3L039460
BDB039460
|
BDBM755991
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5ccn(C6CCC6)c5n4)ccc3C2=O)C(=O)N1
|
C29H31N5O3 497.599000 |
NLHDQISBORNQSR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755991; PubChem:CID169206078
|
Local ready
Direct docking supported
|