| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L041361
BDB041361
|
BDBM773604
[2H]C([2H])([2H])NC(=O)c1ccc(N2CCN(C([2H])([2H])c3ccc4c(c3F)CC(=O)c3cccnc3-4)CC2)c(F)n1
|
C25H23F2N5O2 468.518509 |
IPZGKRXJOYMDKP-BNZCHREDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM773604; PubChem:CID177859247
|
Local ready
Direct docking supported
|
|
E3L041362
BDB041362
|
BDBM773605
[2H]C([2H])([2H])NC(=O)c1ccc(N2CCN(C([2H])([2H])c3ccc4c(c3F)CC(=O)c3cc(F)cnc3-4)CC2)c(F)n1
|
C25H22F3N5O2 486.508509 |
VTFPXKYQAFPTQF-HGSMBRELSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM773605; PubChem:CID177859248
|
Local ready
Direct docking supported
|
|
E3L041363
BDB041363
|
US20250296939, Example 1
CC[C@@H]1CN(Cc2cc([C@H](CC(=O)O)c3ccc4c(nnn4C)c3C)cc3ccsc23)Cc2nc(O)ccc2O1
|
C30H31N5O4S 557.676000 |
XVUYBPCBXQMZGQ-GGAORHGYSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773610; PubChem:CID169261423
|
Local ready
Direct docking supported
|
|
E3L041364
BDB041364
|
US20250296939, Example 2
CC[C@@H]1CN(Cc2cc([C@@H](CC(=O)O)c3ccc4c(nnn4C)c3C)cc3ccsc23)Cc2nc(O)ccc2O1
|
C30H31N5O4S 557.676000 |
XVUYBPCBXQMZGQ-FYYLOGMGSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773611; PubChem:CID169261306
|
Local ready
Direct docking supported
|
|
E3L041365
BDB041365
|
US20250296939, Example 3
Cc1c([C@@H](CC(=O)O)c2cc(CN3Cc4nc(O)ccc4OC4(CC4)C3)c3sccc3c2)ccc2c1nnn2C
|
C30H29N5O4S 555.660000 |
BAAVRKYTPZHRHG-QFIPXVFZSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773612; PubChem:CID169261292
|
Local ready
Direct docking supported
|
|
E3L041366
BDB041366
|
US20250296939, Example 4
Cc1c([C@H](CC(=O)O)c2cc(CN3Cc4nc(O)ccc4OC4(CC4)C3)c3sccc3c2)ccc2c1nnn2C
|
C30H29N5O4S 555.660000 |
BAAVRKYTPZHRHG-JOCHJYFZSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773613; PubChem:CID169261381
|
Local ready
Direct docking supported
|
|
E3L041367
BDB041367
|
US20250296939, Example 5
Cc1c([C@H](CC(=O)O)c2cc(CN3Cc4nc(O)ccc4O[C@H](C4CC4)C3)c3sccc3c2)ccc2c1nnn2C
|
C31H31N5O4S 569.687000 |
XRCUCRBYTXNHPV-KCWPFWIISA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773614; PubChem:CID169261289
|
Local ready
Direct docking supported
|
|
E3L041368
BDB041368
|
US20250296939, Example 6
Cc1c([C@@H](CC(=O)O)c2cc(CN3Cc4nc(O)ccc4O[C@H](C4CC4)C3)c3sccc3c2)ccc2c1nnn2C
|
C31H31N5O4S 569.687000 |
XRCUCRBYTXNHPV-HOFKKMOUSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773615; PubChem:CID169261312
|
Local ready
Direct docking supported
|
|
E3L041369
BDB041369
|
US20250296939, Example 7
Cc1c([C@@H](CC(=O)O)c2cc(CN3Cc4nc(O)ccc4O[C@@H](C4CC4)C3)c3sccc3c2)ccc2c1nnn2C
|
C31H31N5O4S 569.687000 |
XRCUCRBYTXNHPV-WNCULLNHSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773616; PubChem:CID169261222
|
Local ready
Direct docking supported
|
|
E3L041370
BDB041370
|
US20250296939, Example 8
Cc1c([C@H](CC(=O)O)c2cc(CN3Cc4nc(O)ccc4O[C@@H](C4CC4)C3)c3sccc3c2)ccc2c1nnn2C
|
C31H31N5O4S 569.687000 |
XRCUCRBYTXNHPV-YIXXDRMTSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773617; PubChem:CID169261379
|
Local ready
Direct docking supported
|
|
E3L041371
BDB041371
|
US20250296939, Example 9
Cc1c([C@@H](CC(=O)O)c2cc(CN3Cc4nc(O)ccc4O[C@H](C4CC4)C3)c3sccc3c2)cnc2c1nnn2C
|
C30H30N6O4S 570.675000 |
ULHGZNJXWIHYAN-OFVILXPXSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773618; PubChem:CID169261382
|
Local ready
Direct docking supported
|
|
E3L041372
BDB041372
|
US20250296939, Example 10
Cc1c([C@H](CC(=O)O)c2cc(CN3Cc4nc(O)ccc4O[C@H](C4CC4)C3)c3sccc3c2)cnc2c1nnn2C
|
C30H30N6O4S 570.675000 |
ULHGZNJXWIHYAN-BWKNWUBXSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773619; PubChem:CID169261218
|
Local ready
Direct docking supported
|
|
E3L041373
BDB041373
|
US20250296939, Example 11
CC[C@@H]1CN(Cc2cc([C@@H](c3ccc4c(nnn4C)c3C)C(C)(C)C(=O)O)cc3ccsc23)Cc2nc(O)ccc2O1
|
C32H35N5O4S 585.730000 |
KVFASVFLKMEYNA-DFHRPNOPSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773620; PubChem:CID169261328
|
Local ready
Direct docking supported
|
|
E3L041374
BDB041374
|
US20250296939, Example 12
CC[C@@H]1CN(Cc2cc([C@H](c3ccc4c(nnn4C)c3C)C(C)(C)C(=O)O)cc3ccsc23)Cc2nc(O)ccc2O1
|
C32H35N5O4S 585.730000 |
KVFASVFLKMEYNA-SKCUWOTOSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773621; PubChem:CID169261434
|
Local ready
Direct docking supported
|
|
E3L041375
BDB041375
|
US20250296939, Example 13
Cc1c([C@H](c2cc(CN3Cc4nc(O)ccc4OC4(CC4)C3)c3sccc3c2)C(C)(C)C(=O)O)ccc2c1nnn2C
|
C32H33N5O4S 583.714000 |
KRJXCYSLRFJRTR-MHZLTWQESA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773622; PubChem:CID169261527
|
Local ready
Direct docking supported
|
|
E3L041376
BDB041376
|
US20250296939, Example 14
Cc1c([C@H](c2cc(CN3Cc4nc(O)ccc4O[C@H](C4CC4)C3)c3sccc3c2)C(C)(C)C(=O)O)ccc2c1nnn2C
|
C33H35N5O4S 597.741000 |
NQHJDVMIQCKONE-YTMVLYRLSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773623; PubChem:CID169261558
|
Local ready
Direct docking supported
|
|
E3L041377
BDB041377
|
US20250296939, Example 15
Cc1c([C@@H](CC(=O)O)c2cc(CN3Cc4nc(O)ccc4O[C@H](C)C3)c3sccc3c2)ccc2c1NNN2C
|
C29H31N5O4S 545.665000 |
GVCMEQCYVNGWJV-ZHRRBRCNSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773624; PubChem:CID177273834
|
Local ready
Direct docking supported
|
|
E3L041378
BDB041378
|
US20250296939, Example 16
Cc1c([C@H](CC(=O)O)c2cc(N3CCOc4ccc(O)nc4C3)c3sccc3c2)ccc2c1nnn2C
|
C27H25N5O4S 515.595000 |
LKJMALHAACHMPN-LJQANCHMSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773625; PubChem:CID177859252
|
Local ready
Direct docking supported
|
|
E3L041379
BDB041379
|
US20250296939, Example 17
CC[C@H]1Cc2ccc(O)nc2CN(Cc2cc([C@H](CC(=O)O)c3cc(C)c4c(nnn4C)c3C)cc3ccsc23)C1
|
C32H35N5O3S 569.731000 |
DJBZBARHSAYBAA-FNZWTVRRSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773626; PubChem:CID169261263
|
Local ready
Direct docking supported
|
|
E3L041380
BDB041380
|
US20250296939, Example 18
CC[C@@H]1CN(Cc2cc([C@@H](CC(=O)O)c3cc(C)c4c(nnn4C)c3C)cc3ccsc23)Cc2nc(O)ccc2O1
|
C31H33N5O4S 571.703000 |
RREIVZGCMJJJIT-ISKFKSNPSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773627; PubChem:CID169261509
|
Local ready
Direct docking supported
|