| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L036721
BDB036721
|
BDBM731412
C=CC(=O)Nc1cccc2c(Nc3n[nH]c4c3CN(C(=O)N[C@H](CN(C)C)C3CCOCC3)C4(C)C)nccc12
|
C29H38N8O3 546.676000 |
JUKCURHWYOQWCF-HSZRJFAPSA-N | P51948 | Cyclin-H |
BindingDB
BindingDB:BDBM731412
|
Local ready
Direct docking supported
|
|
E3L036722
BDB036722
|
BDBM731413
C=CC(=O)Nc1ccc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)C2CCOCC2)C3(C)C)nc1
|
C25H36N8O3 496.616000 |
BSVWKKBUSXXCEI-LJQANCHMSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM731413; PubChem:CID153631906
|
Local ready
Direct docking supported
|
|
E3L036723
BDB036723
|
BDBM731414
C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)C2CCOCC2)C3(C)C)cc1
|
C27H37N7O4 523.638000 |
WDSSIYQCPVYHCK-OAQYLSRUSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM731414; PubChem:CID153631917
|
Local ready
Direct docking supported
|
|
E3L036724
BDB036724
|
BDBM731415
C=CC(=O)Nc1cnc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)C2CCOCC2)C3(C)C)nc1
|
C24H35N9O3 497.604000 |
OWIAHZQKKDKSPW-GOSISDBHSA-N | P51948 | Cyclin-H |
BindingDB
BindingDB:BDBM731415
|
Local ready
Direct docking supported
|
|
E3L036725
BDB036725
|
BDBM731416
C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)NC2CN(C)Cc4ccccc42)C3(C)C)cc1
|
C28H31N7O3 513.602000 |
HUSCDVQJPZERFH-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM731416; PubChem:CID153631866
|
Local ready
Direct docking supported
|
|
E3L036726
BDB036726
|
BDBM731417
Cc1nccc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)C2CCOCC2)C3(C)C)n1
|
C22H34N8O2 442.568000 |
ZGVDKJQGDZCRMV-QGZVFWFLSA-N | P51948 | Cyclin-H |
BindingDB
BindingDB:BDBM731417
|
Local ready
Direct docking supported
|
|
E3L036727
BDB036727
|
BDBM731418
C=CC(=O)Nc1ccc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)C2CCOCC2)C3(C)C)cc1
|
C26H37N7O3 495.628000 |
WOCNOOCOZFSURY-OAQYLSRUSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM731418; PubChem:CID153631863
|
Local ready
Direct docking supported
|
|
E3L036728
BDB036728
|
BDBM731419
C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N[C@H]2CCCN(C)C2)C3(C)C)cc1
|
C24H31N7O3 465.558000 |
LKHUEPLQVFISLZ-KRWDZBQOSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM731419; PubChem:CID153631905
|
Local ready
Direct docking supported
|
|
E3L036729
BDB036729
|
BDBM731420
C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)NC2(CN(C)C)CC2)C3(C)C)cc1
|
C24H31N7O3 465.558000 |
RXRUNKOMYBBTKW-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM731420; PubChem:CID153631892
|
Local ready
Direct docking supported
|
|
E3L036730
BDB036730
|
BDBM731421
C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)NC(CN(C)C)C2CCOC2)C3(C)C)cc1
|
C26H35N7O4 509.611000 |
QQSZYNLBBPVWLA-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM731421; PubChem:CID153631868
|
Local ready
Direct docking supported
|
|
E3L036731
BDB036731
|
US12269819, Example 9
CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1cccc(Cl)c1
|
C23H22ClF3N4O5 526.899000 |
HBSAWWHENHQAKC-WHCFWRGISA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731595; PubChem:CID155201738
|
Local ready
Direct docking supported
|
|
E3L036732
BDB036732
|
US12269819, Example 10
CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1cc(Cl)ccc1Cl
|
C23H21Cl2F3N4O5 561.344000 |
YMWBDKDFECSUGJ-WHCFWRGISA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731597; PubChem:CID164767588
|
Local ready
Direct docking supported
|
|
E3L036733
BDB036733
|
US12269819, Example 11
CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1cc(Cl)cc(Cl)c1
|
C23H21Cl2F3N4O5 561.344000 |
OXCZDDZQMYRTDI-WHCFWRGISA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731599; PubChem:CID164767589
|
Local ready
Direct docking supported
|
|
E3L036734
BDB036734
|
US12269819, Example 13
CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1cccc2cc(Cl)cnc12
|
C26H23ClF3N5O5 577.947000 |
CLRVTBJMFJNCJC-MWJCSLLCSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731601; PubChem:CID164767579
|
Local ready
Direct docking supported
|
|
E3L036735
BDB036735
|
US12269819, Example 14
CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1cc(Cl)ccc1C(F)(F)F
|
C24H21ClF6N4O5 594.896000 |
HRRMYMJMBYNICO-WHCFWRGISA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731602; PubChem:CID164767582
|
Local ready
Direct docking supported
|
|
E3L036736
BDB036736
|
US12269819, Example 15
CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1cc(Cl)cc2cnccc12
|
C26H23ClF3N5O5 577.947000 |
LWBBQVRAYGVDEK-HSQNVRHTSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731603; PubChem:CID164767562
|
Local ready
Direct docking supported
|
|
E3L036737
BDB036737
|
US12269819, Example 16
CO[C@@H]1[C@@H](n2cc(-c3ccc(Cl)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1ccc2ncsc2c1
|
C24H23ClFN5O5S 547.996000 |
ZRLASWDNXYEMSR-YDXQKAQTSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731604; PubChem:CID164767555
|
Local ready
Direct docking supported
|
|
E3L036738
BDB036738
|
US12269819, Example 17
CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(Cl)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)Nc1ccc2ccsc2c1
|
C24H21ClF2N4O5S 550.971000 |
BAHHMVJSINZXCH-SUHOFRIBSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731605; PubChem:CID167063188
|
Local ready
Direct docking supported
|
|
E3L036739
BDB036739
|
US12269819, Example 19
CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(Cl)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(c1ccc2ncsc2c1)C(C)C
|
C26H26ClF2N5O5S 594.040000 |
AQDMTKABXLVOFO-MWJCSLLCSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731607; PubChem:CID155201765
|
Local ready
Direct docking supported
|
|
E3L036740
BDB036740
|
US12269819, Example 22
CO[C@@H]1[C@@H](n2cc(-c3ccc(Br)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1ccc2ncsc2c1
|
C24H23BrFN5O5S 592.447000 |
LTXRUDXFIJFKCA-YDXQKAQTSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731610; PubChem:CID155201764
|
Local ready
Direct docking supported
|