| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L041421
BDB041421
|
US20250296939, Example 58
Cc1c(C(CC(=O)O)c2cc(CN3Cc4nc(O)ccc4OC4(CC4)[C@H]3C)c3sccc3c2)ccc2c1nnn2C
|
C31H31N5O4S 569.687000 |
KSXFFXVOQPYRRD-FKSKYRLFSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773668; PubChem:CID176183286
|
Local ready
Direct docking supported
|
|
E3L041422
BDB041422
|
US20250296939, Example 60
Cc1c(C(CC(=O)O)c2cc(CN3Cc4nc(O)ccc4OC4(CC4)[C@@H]3C)c3sccc3c2)ccc2c1nnn2C
|
C31H31N5O4S 569.687000 |
KSXFFXVOQPYRRD-XNUZUHMRSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773669; PubChem:CID176183285
|
Local ready
Direct docking supported
|
|
E3L041423
BDB041423
|
US20250296939, Example 60
Cc1c(C(CC(=O)O)c2cc(CN3Cc4nc(O)ccc4OC4(CC4)[C@@H]3C)c3sccc3c2)ccc2c1nnn2C
|
C31H31N5O4S 569.687000 |
KSXFFXVOQPYRRD-XNUZUHMRSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773670; PubChem:CID176183285
|
Local ready
Direct docking supported
|
|
E3L041424
BDB041424
|
US20250296939, Example 62
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)c3ccc4c(c3C)NNN4CCCS(C)(=O)=O)cc3ccsc23)Cc2nc(O)ccc2O1
|
C33H39N5O6S2 665.838000 |
WEVBHGHELYDVBS-RMVMEJTISA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773671; PubChem:CID177273842
|
Local ready
Direct docking supported
|
|
E3L041425
BDB041425
|
US20250296939, Example 63
CC[C@@H]1Cc2cccnc2CN(Cc2cc(C(CC(=O)O)c3ccc4c(nnn4C)c3C)cc3ccsc23)C1
|
C31H33N5O2S 539.705000 |
XJWVRBKNSHJBGP-TUHVGIAZSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773672; PubChem:CID169261290
|
Local ready
Direct docking supported
|
|
E3L041426
BDB041426
|
US20250296939, Example 64
CC[C@H]1Cc2cccnc2CN(Cc2cc(C(CC(=O)O)c3ccc4c(nnn4C)c3C)cc3ccsc23)C1
|
C31H33N5O2S 539.705000 |
XJWVRBKNSHJBGP-DQUNLGLBSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773673; PubChem:CID169261266
|
Local ready
Direct docking supported
|
|
E3L041427
BDB041427
|
US20250296939, Example 65
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)c3ccc4c(c3C)NNN4C)cc3ccsc23)Cc2ncc(O)cc2O1
|
C30H33N5O4S 559.692000 |
KUEWRJOKAJYHKP-LETIRJCYSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773674; PubChem:CID177273846
|
Local ready
Direct docking supported
|
|
E3L041428
BDB041428
|
US20250296939, Example 65
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)c3ccc4c(c3C)NNN4C)cc3ccsc23)Cc2ncc(O)cc2O1
|
C30H33N5O4S 559.692000 |
KUEWRJOKAJYHKP-LETIRJCYSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773675; PubChem:CID177273846
|
Local ready
Direct docking supported
|
|
E3L041429
BDB041429
|
US20250296939, Example 67
CC[C@@H]1CN(Cc2cc([C@@H](CC(=O)O)c3cnc4c(c3C)NNN4C)cc3ccsc23)Cc2nc(N)ccc2O1
|
C29H33N7O3S 559.696000 |
DHQJVULCSAEFDA-NHCUHLMSSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773676; PubChem:CID177273837
|
Local ready
Direct docking supported
|
|
E3L041430
BDB041430
|
US20250296939, Example 68
Cc1c([C@@H](CC(=O)O)c2cc(C)c3sccc3c2)cnc2c1NNN2C
|
C19H20N4O2S 368.462000 |
VTNDHZUCIVWRBW-AWEZNQCLSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773677; PubChem:CID177273856
|
Local ready
Direct docking supported
|
|
E3L041431
BDB041431
|
US20250296939, Example 69
CC[C@H]1Cc2cccnc2CN(Cc2cc([C@@H](CC(=O)O)c3ccc4c(c3C)NNN4C)cc3ccsc23)C1
|
C31H35N5O2S 541.721000 |
MSACHANCUNBTRT-RXFWQSSRSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773678; PubChem:CID177273824
|
Local ready
Direct docking supported
|
|
E3L041432
BDB041432
|
US20250296939, Example 70
CC[C@H]1Cc2cccnc2CN(Cc2cc([C@H](CC(=O)O)c3ccc4c(c3C)NNN4C)cc3ccsc23)C1
|
C31H35N5O2S 541.721000 |
MSACHANCUNBTRT-FNZWTVRRSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773679; PubChem:CID177273844
|
Local ready
Direct docking supported
|
|
E3L041433
BDB041433
|
US20250296939, Example 71
Cc1c(C(CC(=O)O)c2cc(CN3Cc4nc(N)ccc4OC4(CC4)C3)c3sccc3c2)cnc2c1NNN2C
|
C29H31N7O3S 557.680000 |
XQQYTBIYMVUOOU-UHFFFAOYSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773680; PubChem:CID177273853
|
Local ready
Direct docking supported
|
|
E3L041434
BDB041434
|
US20250296939, Example 72
CC[C@H]1Cc2ccc(O)nc2CN(Cc2cc([C@@H](CC(=O)O)c3ccc4c(nnn4C)c3C)cc3ccsc23)C1
|
C31H33N5O3S 555.704000 |
RILANMCETAITMW-UQBPGWFLSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773681; PubChem:CID169261296
|
Local ready
Direct docking supported
|
|
E3L041435
BDB041435
|
US20250296939, Example 73
CC[C@H]1Cc2ccc(O)nc2CN(Cc2cc([C@H](CC(=O)O)c3ccc4c(nnn4C)c3C)cc3ccsc23)C1
|
C31H33N5O3S 555.704000 |
RILANMCETAITMW-DFBJGRDBSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773682; PubChem:CID169261541
|
Local ready
Direct docking supported
|
|
E3L041436
BDB041436
|
US20250296939, Example 74
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)c3ccc4c(nnn4C)c3C)cc3ccsc23)Cc2nc(F)c(O)cc2O1
|
C30H30FN5O4S 575.666000 |
AZBAXEQHYLSMSA-PSDZMVHGSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773683; PubChem:CID169261529
|
Local ready
Direct docking supported
|
|
E3L041437
BDB041437
|
US20250296939, Example 75
CC[C@H]1Cc2cccnc2CN(Cc2cc([C@@H](CC(=O)O)c3cnc4c(nnn4C)c3C)cc3ccsc23)C1
|
C30H32N6O2S 540.693000 |
VEIQJZDMRHBXCP-YADARESESA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773684; PubChem:CID169261242
|
Local ready
Direct docking supported
|
|
E3L041438
BDB041438
|
US20250296939, Example 76
CC[C@H]1Cc2cccnc2CN(Cc2cc([C@H](CC(=O)O)c3cnc4c(nnn4C)c3C)cc3ccsc23)C1
|
C30H32N6O2S 540.693000 |
VEIQJZDMRHBXCP-CYFREDJKSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773685; PubChem:CID169261383
|
Local ready
Direct docking supported
|
|
E3L041439
BDB041439
|
US20250296939, Example 77
CC[C@@H]1CN(Cc2cc([C@@H](CC(=O)O)c3ccc4c(nnn4C)c3C)cc3ccsc23)Cc2nc(NC)ccc2O1
|
C31H34N6O3S 570.719000 |
VRNLFCIKYNUYGP-ISKFKSNPSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773686; PubChem:CID169261239
|
Local ready
Direct docking supported
|
|
E3L041440
BDB041440
|
US20250296939, Example 78
CC[C@@H]1CN(Cc2cc([C@H](CC(=O)O)c3ccc4c(nnn4C)c3C)cc3ccsc23)Cc2nc(NC)ccc2O1
|
C31H34N6O3S 570.719000 |
VRNLFCIKYNUYGP-VWNXMTODSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773687; PubChem:CID169261349
|
Local ready
Direct docking supported
|