| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L039461
BDB039461
|
BDBM755993
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5ccn(C6COC6)c5n4)ccc3C2=O)C(=O)N1
|
C28H29N5O4 499.571000 |
OZSNWUQQBQCHTP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755993; PubChem:CID169206242
|
Local ready
Direct docking supported
|
|
E3L039462
BDB039462
|
BDBM755994
O=C1CCC(N2Cc3c(ccc(-c4cc(CN5CCCC5)c5ccn(C6COC6)c5n4)c3Cl)C2=O)C(=O)N1
|
C28H28ClN5O4 534.016000 |
AFNRIQQQGSFVEP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755994; PubChem:CID169206642
|
Local ready
Direct docking supported
|
|
E3L039463
BDB039463
|
BDBM755995
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5ccn(CCOCc6ccccc6)c5n4)ccc3C2=O)C(=O)N1
|
C34H35N5O4 577.685000 |
MFKGOKGLUYERGJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755995; PubChem:CID169206138
|
Local ready
Direct docking supported
|
|
E3L039464
BDB039464
|
BDBM755996
Cn1ccc2c(CN3CCCC3)c(Cl)c(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C26H26ClN5O3 491.979000 |
BBBDKZXECIHBBJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755996; PubChem:CID169206427
|
Local ready
Direct docking supported
|
|
E3L039465
BDB039465
|
BDBM755997
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5ccn(CCO)c5n4)ccc3C2=O)C(=O)N1
|
C27H29N5O4 487.560000 |
PVWUDRLADDLBHL-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755997; PubChem:CID169206419
|
Local ready
Direct docking supported
|
|
E3L039466
BDB039466
|
BDBM755998
O=C1CCC(N2Cc3c(ccc(-c4cc(CN5CCCC5)c5ccn(C6CS(=O)(=O)C6)c5n4)c3Cl)C2=O)C(=O)N1
|
C28H28ClN5O5S 582.082000 |
ILKJREXRUIPGRL-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755998; PubChem:CID169206525
|
Local ready
Direct docking supported
|
|
E3L039467
BDB039467
|
BDBM755999
Cc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)nc2c1CCN2CCO
|
C23H24N4O4 420.469000 |
XOLPNYXCYHVPIL-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM755999; PubChem:CID169206062
|
Local ready
Direct docking supported
|
|
E3L039468
BDB039468
|
BDBM756000
Cn1ccc2c(C3CCCCN3)cc(-c3ccc4c(c3)CN([C@H]3CCC(=O)NC3=O)C4=O)nc21
|
C26H27N5O3 457.534000 |
NEVYZJQPUNEGLT-IAXKEJLGSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756000; PubChem:CID169206637
|
Local ready
Direct docking supported
|
|
E3L039469
BDB039469
|
BDBM756001
N#CCn1ccc2c(CN3CCCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C27H26N6O3 482.544000 |
TZIXEQKGIYTVSA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756001; PubChem:CID169206754
|
Local ready
Direct docking supported
|
|
E3L039470
BDB039470
|
BDBM756002
CC(C)Oc1ccnc2c(CN3CCCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C29H31N5O4 513.598000 |
WLWWMHMWSBPAJC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756002; PubChem:CID169206703
|
Local ready
Direct docking supported
|
|
E3L039471
BDB039471
|
BDBM756003
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5ccn(-c6ccccc6)c5n4)ccc3C2=O)C(=O)N1
|
C31H29N5O3 519.605000 |
DRILSUURFODIOO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756003; PubChem:CID169206523
|
Local ready
Direct docking supported
|
|
E3L039472
BDB039472
|
BDBM756004
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5c(n4)C(=O)NC5)ccc3C2=O)C(=O)N1
|
C25H25N5O4 459.506000 |
OBRDJGOODJUYSU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756004; PubChem:CID169206618
|
Local ready
Direct docking supported
|
|
E3L039473
BDB039473
|
BDBM756005
CC(C)Cn1ccc2c(CN3CCCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc21
|
C29H33N5O3 499.615000 |
SKJKQEPFRBWCHY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756005; PubChem:CID169206257
|
Local ready
Direct docking supported
|
|
E3L039474
BDB039474
|
BDBM756007
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC(F)C5)c5ccn(C6CC6)c5n4)ccc3C2=O)C(=O)N1
|
C28H28FN5O3 501.562000 |
FSVIAFRZZHMHRZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756007; PubChem:CID169206170
|
Local ready
Direct docking supported
|
|
E3L039475
BDB039475
|
BDBM756009
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC(O)C5)c5ccn(C6CC6)c5n4)ccc3C2=O)C(=O)N1
|
C28H29N5O4 499.571000 |
FQZAPUVCHPBMND-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756009; PubChem:CID169206831
|
Local ready
Direct docking supported
|
|
E3L039476
BDB039476
|
BDBM756010
CC(C)Nc1ccnc2c(CN3CCCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C29H32N6O3 512.614000 |
HBJBHKQSYMNSIK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756010; PubChem:CID169206129
|
Local ready
Direct docking supported
|
|
E3L039477
BDB039477
|
BDBM756011
O=C1CCC(N2Cc3cc(-c4cc(CN5CC(F)C5)c5ccn(C6CC6)c5n4)ccc3C2=O)C(=O)N1
|
C27H26FN5O3 487.535000 |
HPVLOAVLZCPGIR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756011; PubChem:CID169206132
|
Local ready
Direct docking supported
|
|
E3L039478
BDB039478
|
BDBM756012
CN(C)c1ccnc2c(CN3CCCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C28H30N6O3 498.587000 |
PSVXVLXUPOQTTK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756012; PubChem:CID169206313
|
Local ready
Direct docking supported
|
|
E3L039479
BDB039479
|
BDBM756013
O=C1CCC(N2Cc3cc(-c4cc(CN5CCC(CO)CC5)c5ccn(C6CC6)c5n4)ccc3C2=O)C(=O)N1
|
C30H33N5O4 527.625000 |
QVDBDPQQOTURJQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756013; PubChem:CID169206187
|
Local ready
Direct docking supported
|
|
E3L039480
BDB039480
|
BDBM756015
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5nc[nH]c5n4)ccc3C2=O)C(=O)N1
|
C24H24N6O3 444.495000 |
SGLSMDVJOQDTEI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756015; PubChem:CID169206562
|
Local ready
Direct docking supported
|