| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012761
BDB012761
|
US10022354, Example 15
CC(C)c1cc(C(=O)N2CCC(C)(NC(=O)C3CC3)C2)[nH]n1
|
C16H24N4O2 304.394000 |
YEEJGGRVBMZQIM-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281075; PubChem:CID121279558
|
Local ready
Direct docking supported
|
|
E3L012762
BDB012762
|
US10022354, Example 16
CC(O)c1cc(C(=O)N2CCC(NC(=O)C3CC3)C2)[nH]n1
|
C14H20N4O3 292.339000 |
BTJVSAZWYBYVMF-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281076; PubChem:CID121279556
|
Local ready
Direct docking supported
|
|
E3L012763
BDB012763
|
US10022354, Example 17
CC(F)c1cc(C(=O)N2CCC(NC(=O)C3CC3)C2)[nH]n1
|
C14H19FN4O2 294.330000 |
QQMIHOOJONAZBL-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281077; PubChem:CID121279554
|
Local ready
Direct docking supported
|
|
E3L012764
BDB012764
|
US10022354, Example 18
CC(C)(O)c1cc(C(=O)N2CCC(NC(=O)C3CC3)C2)[nH]n1
|
C15H22N4O3 306.366000 |
HRMNYZNGIGQSHN-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281078; PubChem:CID121279553
|
Local ready
Direct docking supported
|
|
E3L012765
BDB012765
|
US10022354, Example 19
CC(C)n1cnc(C(=O)N2CCC(NC(=O)C3CC3)C2)c1
|
C15H22N4O2 290.367000 |
KJIYDGWGFFUQNB-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281079; PubChem:CID121279557
|
Local ready
Direct docking supported
|
|
E3L012766
BDB012766
|
US10022354, Example 20
O=C(NC1CCN(C(=O)c2cc(Cc3ccccc3)n[nH]2)C1)C1CC1
|
C19H22N4O2 338.411000 |
GYFJARJZWMHMPM-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281080; PubChem:CID132054558
|
Local ready
Direct docking supported
|
|
E3L012767
BDB012767
|
US10022354, Example 21
CC(c1ccccc1)c1cc(C(=O)N2CCC(NC(=O)C3CC3)C2)[nH]n1
|
C20H24N4O2 352.438000 |
LOMLYOKDYCDLLB-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281081; PubChem:CID132054541
|
Local ready
Direct docking supported
|
|
E3L012768
BDB012768
|
US10022354, Example 22
CC(CCCc1ccccc1)c1cc(C(=O)N2CCC(NC(=O)C3CC3)C2)n[nH]1
|
C23H30N4O2 394.519000 |
XRCCYPSLTYKAIY-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281082; PubChem:CID121279561
|
Local ready
Direct docking supported
|
|
E3L012769
BDB012769
|
US10022354, Example 23
CCC(C)c1cc(C(=O)N2CCC(NC(=O)C3CC3)C2)[nH]n1
|
C16H24N4O2 304.394000 |
GMRBHAFJFIZANH-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281083; PubChem:CID121279559
|
Local ready
Direct docking supported
|
|
E3L012770
BDB012770
|
US10022354, Example 24
CC(c1cc(C(=O)N2CCC(NC(=O)C3CC3)C2)[nH]n1)C(F)(F)F
|
C15H19F3N4O2 344.337000 |
BLHNGKLPLIQTCL-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281084; PubChem:CID132054533
|
Local ready
Direct docking supported
|
|
E3L012771
BDB012771
|
US10022354, Example 25
COCC(C)c1cc(C(=O)N2CCC(NC(=O)C3CC3)C2)[nH]n1
|
C16H24N4O3 320.393000 |
MGUMFMQACXTQMO-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281085; PubChem:CID121279562
|
Local ready
Direct docking supported
|
|
E3L012772
BDB012772
|
US10022354, Example 26
CC(C)Oc1cc(C(=O)N2CCC(NC(=O)C3CC3)C2)[nH]n1
|
C15H22N4O3 306.366000 |
VWZRKGKGLIJSPL-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281086; PubChem:CID132054531
|
Local ready
Direct docking supported
|
|
E3L012773
BDB012773
|
US10022354, Example 27
CC(=O)NC1CCN(C(=O)c2cc(C(C)C)n[nH]2)C1
|
C13H20N4O2 264.329000 |
VJWRGFIQVSUBPB-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281087; PubChem:CID121279544
|
Local ready
Direct docking supported
|
|
E3L012774
BDB012774
|
BDBM281088
CC(C)c1cc(C(=O)N2CC[C@H](NC(=O)C3CC3)C2)[nH]n1
|
C15H22N4O2 290.367000 |
CXEXTVGTDZRKJS-NSHDSACASA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281088; PubChem:CID129606887
|
Local ready
Direct docking supported
|
|
E3L012775
BDB012775
|
Kdm5A-IN-1
CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)C3CC3)C2)[nH]n1
|
C15H22N4O2 290.367000 |
CXEXTVGTDZRKJS-LLVKDONJSA-N | P29375, P41229, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 5C, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM281089; PubChem:CID119081409
|
Local ready
Direct docking supported
|
|
E3L012776
BDB012776
|
US10022354, Example 30
CC(C)c1cc(C(=O)N2CCC(N3Cc4ccccc4C3=O)C2)[nH]n1
|
C19H22N4O2 338.411000 |
NAXTVRAEMKWIHX-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281090; PubChem:CID132054536
|
Local ready
Direct docking supported
|
|
E3L012777
BDB012777
|
US10022354, Example 115
COC(=O)NC1CCN(C(=O)c2cc(C(C)C)n[nH]2)C1
|
C13H20N4O3 280.328000 |
GXQMLAWTGOHRJK-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281091; PubChem:CID121279560
|
Local ready
Direct docking supported
|
|
E3L012778
BDB012778
|
US10022354, Example 116
CC(C)c1cc(C(=O)N2CCC(NC(=O)Oc3ccccc3)C2)[nH]n1
|
C18H22N4O3 342.399000 |
BCHKYQYRPXVIDZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281092; PubChem:CID121279555
|
Local ready
Direct docking supported
|
|
E3L012779
BDB012779
|
US10022354, Example 33
CC(C)c1cc(C(=O)N2CCC(NC(=O)NC3CC3)C2)[nH]n1
|
C15H23N5O2 305.382000 |
WNSMPEBHTSITSG-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281093; PubChem:CID132054554
|
Local ready
Direct docking supported
|
|
E3L012780
BDB012780
|
US10022354, Example 34
CNC(=O)NC1CCN(C(=O)c2cc(C(C)C)n[nH]2)C1
|
C13H21N5O2 279.344000 |
QSZJKTWEBCXRJQ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281094; PubChem:CID121279679
|
Local ready
Direct docking supported
|