| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L041401
BDB041401
|
US20250296939, Example 39
Cc1c([C@H](CC(=O)O)c2cc(CN3Cc4nc(O)ccc4O[C@@H](C(F)(F)F)C3)c3sccc3c2)ccc2c1nnn2C
|
C29H26F3N5O4S 597.619000 |
ZFHXITOPGWKMMQ-HYBUGGRVSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773648; PubChem:CID169261561
|
Local ready
Direct docking supported
|
|
E3L041402
BDB041402
|
US20250296939, Example 40
Cc1c([C@@H](CC(=O)O)c2cc(CN3Cc4nc(O)ccc4O[C@@H](C(F)(F)F)C3)c3sccc3c2)ccc2c1nnn2C
|
C29H26F3N5O4S 597.619000 |
ZFHXITOPGWKMMQ-GBXCKJPGSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773649; PubChem:CID169261552
|
Local ready
Direct docking supported
|
|
E3L041403
BDB041403
|
US20250296939, Example 41
CC[C@@H]1CN(Cc2cc([C@@H](CC(=O)O)c3cc(OC(F)(F)F)c4c(c3C)NNN4C)cc3ccsc23)Cc2nc(O)ccc2O1
|
C31H32F3N5O5S 643.688000 |
XOTNWMDOPZVQHG-IFMALSPDSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773650; PubChem:CID177273845
|
Local ready
Direct docking supported
|
|
E3L041404
BDB041404
|
US20250296939, Example 42
CC[C@@H]1CN(Cc2cc([C@H](CC(=O)O)c3cc(OC(F)(F)F)c4c(c3C)NNN4C)cc3ccsc23)Cc2nc(O)ccc2O1
|
C31H32F3N5O5S 643.688000 |
XOTNWMDOPZVQHG-IRLDBZIGSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773651; PubChem:CID177273820
|
Local ready
Direct docking supported
|
|
E3L041405
BDB041405
|
US20250296939, Example 43
CC[C@@H]1CN(Cc2cc([C@@H](CC(=O)O)c3cc(OC(F)F)c4c(c3C)NNN4C)cc3ccsc23)Cc2nc(O)ccc2O1
|
C31H33F2N5O5S 625.698000 |
IWACTTRDDKPINY-IFMALSPDSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773652; PubChem:CID177273849
|
Local ready
Direct docking supported
|
|
E3L041406
BDB041406
|
US20250296939, Example 44
CC[C@@H]1CN(Cc2cc([C@H](CC(=O)O)c3cc(OC(F)F)c4c(c3C)NNN4C)cc3ccsc23)Cc2nc(O)ccc2O1
|
C31H33F2N5O5S 625.698000 |
IWACTTRDDKPINY-IRLDBZIGSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773653; PubChem:CID177273859
|
Local ready
Direct docking supported
|
|
E3L041407
BDB041407
|
US20250296939, Example 45
Cc1c([C@H](CC(=O)O)c2cc(CN3Cc4nc(O)ccc4O[C@H](C(C)(F)F)C3)c3sccc3c2)ccc2c1nnn2C
|
C30H29F2N5O4S 593.656000 |
CSLMEGDUVMJFIA-BWKNWUBXSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773654; PubChem:CID169261398
|
Local ready
Direct docking supported
|
|
E3L041408
BDB041408
|
US20250296939, Example 46
Cc1c([C@H](CC(=O)O)c2cc(CN3Cc4nc(O)ccc4O[C@H](C(F)(F)F)C3)c3sccc3c2)cnc2c1nnn2C
|
C28H25F3N6O4S 598.607000 |
DWFCHLPEZBYTPH-GCJKJVERSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773655; PubChem:CID169261581
|
Local ready
Direct docking supported
|
|
E3L041409
BDB041409
|
US20250296939, Example 47
Cc1c([C@@H](c2cc(CN3Cc4nc(O)ccc4OC4(CC4)C3)c3sccc3c2)C(C)(C)C(=O)O)ccc2c1nnn2C
|
C32H33N5O4S 583.714000 |
KRJXCYSLRFJRTR-HHHXNRCGSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773656; PubChem:CID169261417
|
Local ready
Direct docking supported
|
|
E3L041410
BDB041410
|
US20250296939, Example 48
CC[C@@H]1CN(Cc2cc([C@@H](c3cnc4c(nnn4C)c3C)C(C)(C)C(=O)O)cc3ccsc23)Cc2nc(O)ccc2O1
|
C31H34N6O4S 586.718000 |
KZEHIVBQVAANNK-RLWLMLJZSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773657; PubChem:CID169261590
|
Local ready
Direct docking supported
|
|
E3L041411
BDB041411
|
US20250296939, Example 49
CC[C@@H]1CN(Cc2cc([C@H](c3cnc4c(nnn4C)c3C)C(C)(C)C(=O)O)cc3ccsc23)Cc2nc(O)ccc2O1
|
C31H34N6O4S 586.718000 |
KZEHIVBQVAANNK-QFQXNSOFSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773658; PubChem:CID169261315
|
Local ready
Direct docking supported
|
|
E3L041412
BDB041412
|
US20250296939, Example 50
Cc1c([C@H](c2cc(CN3Cc4nc(O)ccc4OC4(CC4)C3)c3sccc3c2)C(C)(C)C(=O)O)cnc2c1nnn2C
|
C31H32N6O4S 584.702000 |
AVDUZLOGQFKOFS-VWLOTQADSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773659; PubChem:CID169261217
|
Local ready
Direct docking supported
|
|
E3L041413
BDB041413
|
US20250296939, Example 51
COC(=O)C(C)(C)[C@@H](c1cc(CN2Cc3nc(O)ccc3O[C@H](C3CC3)C2)c2sccc2c1)c1cnc2c(nnn2C)c1C
|
C33H36N6O4S 612.756000 |
OUVBNPYMDSXBEN-XCZPVHLTSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773660; PubChem:CID169261399
|
Local ready
Direct docking supported
|
|
E3L041414
BDB041414
|
US20250296939, Example 52
CC[C@@H]1CN(Cc2cc([C@@H](CC(=O)O)c3ccn4c(C)nnc4c3C)cc3ccsc23)Cc2nc(O)ccc2O1
|
C30H31N5O4S 557.676000 |
PODSBBSWZLEZAA-ISKFKSNPSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773661; PubChem:CID169261459
|
Local ready
Direct docking supported
|
|
E3L041415
BDB041415
|
US20250296939, Example 52
CC[C@@H]1CN(Cc2cc([C@@H](CC(=O)O)c3ccn4c(C)nnc4c3C)cc3ccsc23)Cc2nc(O)ccc2O1
|
C30H31N5O4S 557.676000 |
PODSBBSWZLEZAA-ISKFKSNPSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773662; PubChem:CID169261459
|
Local ready
Direct docking supported
|
|
E3L041416
BDB041416
|
US20250296939, Example 54
Cc1c(C(CC(=O)O)c2cc(CN3Cc4nc(O)ccc4OC4(CC4)C3)c3sccc3c2)ccn2c(C)nnc12
|
C30H29N5O4S 555.660000 |
CKOQVODDKAMPOP-UHFFFAOYSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773663; PubChem:CID169261487
|
Local ready
Direct docking supported
|
|
E3L041417
BDB041417
|
US20250296939, Example 55
CC[C@@H]1CN(Cc2cc([C@@H](CC(=O)O)c3ccc4c(nnn4C)c3C)cc3ccsc23)Cc2nc(N)ccc2O1
|
C30H32N6O3S 556.692000 |
UMFMAVNNKPNPKA-FYYLOGMGSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773664; PubChem:CID169261412
|
Local ready
Direct docking supported
|
|
E3L041418
BDB041418
|
US20250296939, Example 56
CC[C@@H]1CN(Cc2cc([C@H](CC(=O)O)c3ccc4c(nnn4C)c3C)cc3ccsc23)Cc2nc(N)ccc2O1
|
C30H32N6O3S 556.692000 |
UMFMAVNNKPNPKA-GGAORHGYSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773665; PubChem:CID169261406
|
Local ready
Direct docking supported
|
|
E3L041419
BDB041419
|
US20250296939, Example 57
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)c3ccc4c(nnn4C)c3C)cc3ccsc23)Cc2nc(F)ccc2O1
|
C30H30FN5O3S 559.667000 |
NJQUMKZHTDUGIO-FKHAVUOCSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773666; PubChem:CID169261524
|
Local ready
Direct docking supported
|
|
E3L041420
BDB041420
|
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:BDBM773667; PubChem:CID176183286
|
Local ready
Direct docking supported
|