| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L041381
BDB041381
|
US20250296939, Example 19
CC[C@@H]1CN(Cc2cc([C@@H](CC(=O)O)c3ccc4c(c3C)NNN4CC(C)(C)O)cc3ccsc23)Cc2nc(O)ccc2O1
|
C33H39N5O5S 617.772000 |
RIPAJEVPKRXCAE-ILBGXUMGSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773628; PubChem:CID177273840
|
Local ready
Direct docking supported
|
|
E3L041382
BDB041382
|
US20250296939, Example 20
CC[C@@H]1CN(Cc2cc([C@H](CC(=O)O)c3ccc4c(c3C)NNN4CC(C)(C)O)cc3ccsc23)Cc2nc(O)ccc2O1
|
C33H39N5O5S 617.772000 |
RIPAJEVPKRXCAE-NOZRDPDXSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773629; PubChem:CID177273821
|
Local ready
Direct docking supported
|
|
E3L041383
BDB041383
|
US20250296939, Example 21
CCC1CN(Cc2cc([C@@H](CC(=O)O)c3cc(OC)c4c(nnn4C)c3C)cc3ccsc23)Cc2nc(O)ccc2O1
|
C31H33N5O5S 587.702000 |
QMXBNLAGFKBRFY-JFGZAKSSSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773630; PubChem:CID177859253
|
Local ready
Direct docking supported
|
|
E3L041384
BDB041384
|
US20250296939, Example 22
CC[C@@H]1CN(Cc2cc([C@H](CC(=O)O)c3cc(OC)c4c(nnn4C)c3C)cc3ccsc23)Cc2nc(O)ccc2O1
|
C31H33N5O5S 587.702000 |
QMXBNLAGFKBRFY-GGAORHGYSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773631; PubChem:CID169261301
|
Local ready
Direct docking supported
|
|
E3L041385
BDB041385
|
US20250296939, Example 23
CC[C@@H]1CN(Cc2cc([C@@H](CC(=O)O)c3cnc4c(nnn4C)c3C)cc3ccsc23)Cc2nc(O)ccc2O1
|
C29H30N6O4S 558.664000 |
LKFGMCBKDHBHSN-NHCUHLMSSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773632; PubChem:CID169261298
|
Local ready
Direct docking supported
|
|
E3L041386
BDB041386
|
US20250296939, Example 24
CC[C@H]1Cc2ccc(O)nc2CN(Cc2cc([C@H](CC(=O)O)c3cnc4c(nnn4C)c3C)cc3ccsc23)C1
|
C30H32N6O3S 556.692000 |
PDFCZUMDQQNSKD-MBSDFSHPSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773633; PubChem:CID169261245
|
Local ready
Direct docking supported
|
|
E3L041387
BDB041387
|
US20250296939, Example 25
CC[C@@H]1CN(Cc2cc([C@@H](CC(=O)O)c3ccc4c(nnn4CCN(C)C)c3C)cc3ccsc23)Cc2nc(O)ccc2O1
|
C33H38N6O4S 614.772000 |
ZNZLXWVPQCXATD-AOYPEHQESA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773634; PubChem:CID169261327
|
Local ready
Direct docking supported
|
|
E3L041388
BDB041388
|
US20250296939, Example 26
CC[C@@H]1CN(Cc2cc([C@H](CC(=O)O)c3cnc4c(c3C)NNN4CCN(C)C)cc3ccsc23)Cc2nc(O)ccc2O1
|
C32H39N7O4S 617.776000 |
CAIOXCSIVAEKEE-RPWUZVMVSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773635; PubChem:CID177273819
|
Local ready
Direct docking supported
|
|
E3L041389
BDB041389
|
US20250296939, Example 27
CC[C@@H]1CN(Cc2cc([C@@H](CC(=O)O)c3ccc4c(nnn4CC(F)(F)F)c3C)cc3ccsc23)Cc2nc(O)ccc2O1
|
C31H30F3N5O4S 625.673000 |
DXSBSUPTNJKFPA-FYYLOGMGSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773636; PubChem:CID169261482
|
Local ready
Direct docking supported
|
|
E3L041390
BDB041390
|
US20250296939, Example 27
CC[C@@H]1CN(Cc2cc([C@@H](CC(=O)O)c3ccc4c(nnn4CC(F)(F)F)c3C)cc3ccsc23)Cc2nc(O)ccc2O1
|
C31H30F3N5O4S 625.673000 |
DXSBSUPTNJKFPA-FYYLOGMGSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773637; PubChem:CID169261482
|
Local ready
Direct docking supported
|
|
E3L041391
BDB041391
|
US20250296939, Example 29
CC[C@@H]1CN(Cc2cc([C@@H](CC(=O)O)c3cc(C(F)(F)F)c4c(nnn4C)c3C)cc3ccsc23)Cc2nc(O)ccc2O1
|
C31H30F3N5O4S 625.673000 |
UNXUYHUOVDBSSI-IFMALSPDSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773638; PubChem:CID169261580
|
Local ready
Direct docking supported
|
|
E3L041392
BDB041392
|
US20250296939, Example 30
CC[C@@H]1CN(Cc2cc([C@H](CC(=O)O)c3cc(C(F)(F)F)c4c(nnn4C)c3C)cc3ccsc23)Cc2nc(O)ccc2O1
|
C31H30F3N5O4S 625.673000 |
UNXUYHUOVDBSSI-IRLDBZIGSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773639; PubChem:CID169261570
|
Local ready
Direct docking supported
|
|
E3L041393
BDB041393
|
US20250296939, Example 31
CC[C@H]1Cc2ccc(O)nc2CN(Cc2cc([C@@H](CC(=O)O)c3cc(Cl)c4c(nnn4C)c3C)cc3ccsc23)C1
|
C31H32ClN5O3S 590.149000 |
VKSRVZMRSRGMDZ-MHECFPHRSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773640; PubChem:CID177273825
|
Local ready
Direct docking supported
|
|
E3L041394
BDB041394
|
US20250296939, Example 32
CC[C@@H]1CN(Cc2cc([C@H](CC(=O)O)c3cc(Cl)c4c(nnn4C)c3C)cc3ccsc23)Cc2nc(O)ccc2O1
|
C30H30ClN5O4S 592.121000 |
PDKAHZDFAYPSCK-IRLDBZIGSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773641; PubChem:CID169261339
|
Local ready
Direct docking supported
|
|
E3L041395
BDB041395
|
US20250296939, Example 33
CC[C@@H]1CN(Cc2cc([C@@H](CC(=O)O)c3cc(C#N)c4c(nnn4C)c3C)cc3ccsc23)Cc2nc(O)ccc2O1
|
C31H30N6O4S 582.686000 |
GLXYOVZKAVCINP-ISKFKSNPSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773642; PubChem:CID169261515
|
Local ready
Direct docking supported
|
|
E3L041396
BDB041396
|
US20250296939, Example 34
CC[C@@H]1CN(Cc2cc([C@H](CC(=O)O)c3cc(C#N)c4c(nnn4C)c3C)cc3ccsc23)Cc2nc(O)ccc2O1
|
C31H30N6O4S 582.686000 |
GLXYOVZKAVCINP-VWNXMTODSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773643; PubChem:CID169261426
|
Local ready
Direct docking supported
|
|
E3L041397
BDB041397
|
US20250296939, Example 35
CC[C@@H]1CN(Cc2cc([C@@H](CC(=O)O)c3cc(C4CC4)c4c(nnn4C)c3C)cc3ccsc23)Cc2nc(O)ccc2O1
|
C33H35N5O4S 597.741000 |
NQNOQHHSFBSVHE-ILBGXUMGSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773644; PubChem:CID169261600
|
Local ready
Direct docking supported
|
|
E3L041398
BDB041398
|
US20250296939, Example 36
CC[C@@H]1CN(Cc2cc([C@H](CC(=O)O)c3cc(C4CC4)c4c(nnn4C)c3C)cc3ccsc23)Cc2nc(O)ccc2O1
|
C33H35N5O4S 597.741000 |
NQNOQHHSFBSVHE-NOZRDPDXSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773645; PubChem:CID169261334
|
Local ready
Direct docking supported
|
|
E3L041399
BDB041399
|
US20250296939, Example 37
Cc1c([C@H](CC(=O)O)c2cc(CN3Cc4nc(O)ccc4O[C@H](C(F)(F)F)C3)c3sccc3c2)ccc2c1nnn2C
|
C29H26F3N5O4S 597.619000 |
ZFHXITOPGWKMMQ-YKSBVNFPSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773646; PubChem:CID169261594
|
Local ready
Direct docking supported
|
|
E3L041400
BDB041400
|
US20250296939, Example 38
Cc1c([C@@H](CC(=O)O)c2cc(CN3Cc4nc(O)ccc4O[C@H](C(F)(F)F)C3)c3sccc3c2)ccc2c1nnn2C
|
C29H26F3N5O4S 597.619000 |
ZFHXITOPGWKMMQ-RDPSFJRHSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773647; PubChem:CID169261294
|
Local ready
Direct docking supported
|