| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L041441
BDB041441
|
US20250296939, Example 79
Cc1c([C@@H](CC(=O)O)c2cc(CN3Cc4cnc(O)cc4OC4(CC4)C3)c3sccc3c2)ccc2c1nnn2C
|
C30H29N5O4S 555.660000 |
RPVATVQRGMNUBB-QHCPKHFHSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773688; PubChem:CID169261485
|
Local ready
Direct docking supported
|
|
E3L041442
BDB041442
|
US20250296939, Example 80
CC[C@H]1Cc2ccc(O)nc2CN(Cc2cc([C@@H](CC(=O)O)c3cnc4c(nnn4C)c3C)cc3ccsc23)C1
|
C30H32N6O3S 556.692000 |
PDFCZUMDQQNSKD-FDDCHVKYSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773689; PubChem:CID169261400
|
Local ready
Direct docking supported
|
|
E3L041443
BDB041443
|
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:BDBM773690; PubChem:CID169261245
|
Local ready
Direct docking supported
|
|
E3L041444
BDB041444
|
US20250296939, Example 82
Cc1c([C@@H](CC(=O)O)c2cc(CN3Cc4c(ccnc4O)OC4(CC4)C3)c3sccc3c2)ccc2c1nnn2C
|
C30H29N5O4S 555.660000 |
PXRUBBOAFSPOQQ-QFIPXVFZSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773691; PubChem:CID169261300
|
Local ready
Direct docking supported
|
|
E3L041445
BDB041445
|
US20250296939, Example 83
CC[C@H]1Cc2ccc(NC)nc2CN(Cc2cc([C@@H](CC(=O)O)c3ccc4c(nnn4C)c3C)cc3ccsc23)C1
|
C32H36N6O2S 568.747000 |
XDILTXWNFOJWHW-RXFWQSSRSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773692; PubChem:CID177273818
|
Local ready
Direct docking supported
|
|
E3L041446
BDB041446
|
US20250296939, Example 84
CC[C@H]1Cc2ccc(O)nc2CN(Cc2cc([C@H](CC(=O)O)c3ccc4c(nnn4C)c3Cl)cc3ccsc23)C1
|
C30H30ClN5O3S 576.122000 |
DBBXEQCMHHVTAH-SBUREZEXSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773693; PubChem:CID169261374
|
Local ready
Direct docking supported
|
|
E3L041447
BDB041447
|
US20250296939, Example 85
CC[C@H]1Cc2ccc(O)nc2CN(Cc2cc([C@H](CC(=O)O)c3cc(Cl)c4c(nnn4C)c3C)cc3ccsc23)C1
|
C31H32ClN5O3S 590.149000 |
VKSRVZMRSRGMDZ-UUOWRZLLSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773694; PubChem:CID169261302
|
Local ready
Direct docking supported
|
|
E3L041448
BDB041448
|
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:BDBM773695; PubChem:CID169261263
|
Local ready
Direct docking supported
|
|
E3L041449
BDB041449
|
US20250296939, Example 87
CC[C@H]1Cc2ccc(O)nc2CN(Cc2cc([C@@H](CC(=O)O)c3cc(C)c4c(nnn4C)c3C)cc3ccsc23)C1
|
C32H35N5O3S 569.731000 |
DJBZBARHSAYBAA-RXFWQSSRSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773696; PubChem:CID169261330
|
Local ready
Direct docking supported
|
|
E3L041450
BDB041450
|
US20250296939, Example 88
Cc1c([C@H](CC(=O)O)c2cc(CN3Cc4nc(O)ccc4CC(C4CC4)C3)c3sccc3c2)ccc2c1nnn2C
|
C32H33N5O3S 567.715000 |
DMTWMDVPFAGRAA-ANWICMFUSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773697; PubChem:CID170312422
|
Local ready
Direct docking supported
|
|
E3L041451
BDB041451
|
US20250296939, Example 88
Cc1c([C@H](CC(=O)O)c2cc(CN3Cc4nc(O)ccc4CC(C4CC4)C3)c3sccc3c2)ccc2c1nnn2C
|
C32H33N5O3S 567.715000 |
DMTWMDVPFAGRAA-ANWICMFUSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773698; PubChem:CID170312422
|
Local ready
Direct docking supported
|
|
E3L041452
BDB041452
|
US20250296939, Example 90
Cc1c([C@H](CC(=O)O)c2cc(CN3Cc4nc(O)ccc4CC(C4CC4)C3)c3sccc3c2)cnc2c1nnn2C
|
C31H32N6O3S 568.703000 |
SVDCIJDQXWLMSJ-SYIFMXBLSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773699; PubChem:CID170312400
|
Local ready
Direct docking supported
|
|
E3L041453
BDB041453
|
US20250296939, Example 90
Cc1c([C@H](CC(=O)O)c2cc(CN3Cc4nc(O)ccc4CC(C4CC4)C3)c3sccc3c2)cnc2c1nnn2C
|
C31H32N6O3S 568.703000 |
SVDCIJDQXWLMSJ-SYIFMXBLSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773700; PubChem:CID170312400
|
Local ready
Direct docking supported
|
|
E3L041454
BDB041454
|
US20250296939, Example 92
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)c3ccc4c(nnn4CC)c3C)cc3ccsc23)Cc2nc(C)ccc2O1
|
C32H35N5O3S 569.731000 |
WPMKAZPBQNYMJU-RMVMEJTISA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773701; PubChem:CID169261540
|
Local ready
Direct docking supported
|
|
E3L041455
BDB041455
|
US20250296939, Example 93
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)c3ccc4c(nnn4C)c3C)cc3ccsc23)Cc2nc(C(F)(F)F)ccc2O1
|
C31H30F3N5O3S 609.674000 |
LYBCERZZTOSSIV-FKHAVUOCSA-N | Q14145 | NAD(P)H dehydrogenase [quinone] 1 |
BindingDB, PubChem
BindingDB:BDBM773702; PubChem:CID169261556
|
Local ready
Direct docking supported
|
|
E3L041456
BDB041456
|
US20250304535, Example C1
COc1ccc(C(C)(C)C)cc1S(=O)(=O)NC(=O)c1ccc(Cn2cccn2)c(I)c1
|
C22H24IN3O4S 553.422000 |
MTDGXOVABSLJQQ-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM773957; PubChem:CID177288286
|
Local ready
Direct docking supported
|
|
E3L041457
BDB041457
|
US20250304535, Example C4
C=Cc1cc(C(=O)NS(=O)(=O)c2cc(C(C)(C)C)ccc2OC)ccc1Cn1cccn1
|
C24H27N3O4S 453.564000 |
JNHRTTFAUYYDBP-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM773963; PubChem:CID177288250
|
Local ready
Direct docking supported
|
|
E3L041458
BDB041458
|
US20250304535, Example C5
COc1ccc(C(C)(C)C)cc1S(=O)(=O)NC(=O)c1ccc(Cn2cccn2)c(-c2ccco2)c1
|
C26H27N3O5S 493.585000 |
SVDCKLVACUGAJU-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM773965; PubChem:CID177288372
|
Local ready
Direct docking supported
|
|
E3L041459
BDB041459
|
US20250304535, Example C6
CCc1cc(C(=O)NS(=O)(=O)c2cc(C(C)(C)C)ccc2OC)ccc1Cn1cccn1
|
C24H29N3O4S 455.580000 |
KXZMZRPSNJTGQY-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM773966; PubChem:CID177288415
|
Local ready
Direct docking supported
|
|
E3L041460
BDB041460
|
US20250304535, Example C7
COc1cc(C(=O)NS(=O)(=O)c2cc(C(C)(C)C)ccc2OC)ccc1Cn1cccn1
|
C23H27N3O5S 457.552000 |
LWPWRISGOJPKJO-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM773967; PubChem:CID177288339
|
Local ready
Direct docking supported
|