| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017021
BDB017021
|
US10273222, Example 91
O=C(O)c1ccnc(-c2cn(CCN3CCc4cc(F)ccc43)cn2)c1
|
C19H17FN4O2 352.369000 |
VBYNYZPZKXJUEM-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382031; PubChem:CID86269083
|
Local ready
Direct docking supported
|
|
E3L017022
BDB017022
|
US10273222, Example 92
O=C(O)c1ccnc(-c2cn(CCc3ccc(F)cc3)cn2)c1
|
C17H14FN3O2 311.316000 |
MDBCUBGXHYXSNR-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382032; PubChem:CID86269285
|
Local ready
Direct docking supported
|
|
E3L017023
BDB017023
|
US10273222, Example 93
O=C(O)c1ccnc(-c2cn(CCc3ccccc3F)cn2)c1
|
C17H14FN3O2 311.316000 |
SSRPMNPULVBKPU-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382033; PubChem:CID86269286
|
Local ready
Direct docking supported
|
|
E3L017024
BDB017024
|
US10273222, Example 94
COc1ccc(CCn2cnc(-c3cc(C(=O)O)ccn3)c2)cc1
|
C18H17N3O3 323.352000 |
FUCRBGPUVDOORY-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382034; PubChem:CID86269287
|
Local ready
Direct docking supported
|
|
E3L017025
BDB017025
|
US10273222, Example 95
COc1ccccc1CCn1cnc(-c2cc(C(=O)O)ccn2)c1
|
C18H17N3O3 323.352000 |
WIFDYYDCPDNMJO-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382035; PubChem:CID86269288
|
Local ready
Direct docking supported
|
|
E3L017026
BDB017026
|
US10273222, Example 96
Cc1ccccc1CCn1cnc(-c2cc(C(=O)O)ccn2)c1
|
C18H17N3O2 307.353000 |
FNPHROKMXPECAD-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382036; PubChem:CID86269289
|
Local ready
Direct docking supported
|
|
E3L017027
BDB017027
|
US10273222, Example 97
O=C(O)c1ccnc(-c2cn(CCc3ccccc3Cl)cn2)c1
|
C17H14ClN3O2 327.771000 |
NZRXUQUWPPLOHA-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382037; PubChem:CID86269290
|
Local ready
Direct docking supported
|
|
E3L017028
BDB017028
|
US10273222, Example 98
O=C(O)c1ccnc(-c2cn(CCc3ccccc3C(F)(F)F)cn2)c1
|
C18H14F3N3O2 361.323000 |
MZMHTIGRGQLMHC-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382038; PubChem:CID86269291
|
Local ready
Direct docking supported
|
|
E3L017029
BDB017029
|
US10273222, Example 99
O=C(O)c1ccnc(-c2cn(C3Cc4ccccc4C3)cn2)c1
|
C18H15N3O2 305.337000 |
YEIUTPICFPHMSZ-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382039; PubChem:CID86269492
|
Local ready
Direct docking supported
|
|
E3L017030
BDB017030
|
2-(1-Benzylimidazol-4-yl)pyridine-4-carboxylic acid
O=C(O)c1ccnc(-c2cn(Cc3ccccc3)cn2)c1
|
C16H13N3O2 279.299000 |
YMTUVGRFKLITAS-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382040; PubChem:CID90407085
|
Local ready
Direct docking supported
|
|
E3L017031
BDB017031
|
US10273222, Example 101
O=C(O)c1ccnc(-c2cn(Cc3ccc(F)cc3)cn2)c1
|
C16H12FN3O2 297.289000 |
TYQVGBHPIVDCJP-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382041; PubChem:CID86269493
|
Local ready
Direct docking supported
|
|
E3L017032
BDB017032
|
US10273222, Example 102
O=C(O)c1ccnc(-c2cn(Cc3ccccc3F)cn2)c1
|
C16H12FN3O2 297.289000 |
FWSGIYDMJPQQGL-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382042; PubChem:CID90407432
|
Local ready
Direct docking supported
|
|
E3L017033
BDB017033
|
BDBM382043
CC(c1ccccc1)n1cnc(-c2cc(C(=O)O)ccn2)c1
|
C17H15N3O2 293.326000 |
BBJLCHZEGBSIFB-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382043; PubChem:CID90406457
|
Local ready
Direct docking supported
|
|
E3L017034
BDB017034
|
US10273222, Example 104
O=C(O)c1ccnc(-c2cn(Cc3cccc(F)c3)cn2)c1
|
C16H12FN3O2 297.289000 |
ZJSZJNLCAOPVEJ-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382044; PubChem:CID90407275
|
Local ready
Direct docking supported
|
|
E3L017035
BDB017035
|
US10273222, Example 105
CC(C)(Cn1cnc(-c2cc(C(=O)O)ccn2)c1)c1ccccc1Cl
|
C19H18ClN3O2 355.825000 |
WJNMKYLJNLYALB-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382045; PubChem:CID90407510
|
Local ready
Direct docking supported
|
|
E3L017036
BDB017036
|
US10273222, Example 106
CC(Cc1ccccc1)n1cnc(-c2cc(C(=O)O)ccn2)c1
|
C18H17N3O2 307.353000 |
NBKPXVZLKABEHX-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382046; PubChem:CID90407519
|
Local ready
Direct docking supported
|
|
E3L017037
BDB017037
|
BDBM382047
CCC(c1ccccc1)n1cnc(-c2cc(C(=O)O)ccn2)c1
|
C18H17N3O2 307.353000 |
QQICWINVVSDEAQ-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382047; PubChem:CID90407218
|
Local ready
Direct docking supported
|
|
E3L017038
BDB017038
|
US10273222, Example 108
CC(C)C(c1ccccc1)n1cnc(-c2cc(C(=O)O)ccn2)c1
|
C19H19N3O2 321.380000 |
VJLABPNSGBCXOH-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382048; PubChem:CID90407229
|
Local ready
Direct docking supported
|
|
E3L017039
BDB017039
|
US10273222, Example 109
O=C(O)c1ccnc(-c2cn(C3CCc4ccc(F)cc43)cn2)c1
|
C18H14FN3O2 323.327000 |
IHQFUQDEYXBGQR-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382049; PubChem:CID90407324
|
Local ready
Direct docking supported
|
|
E3L017040
BDB017040
|
US10273222, Example 110
O=C(O)c1ccnc(-c2cn(C3CCc4c(F)cccc43)cn2)c1
|
C18H14FN3O2 323.327000 |
VTBZXRRFAQZNQE-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382050; PubChem:CID90407530
|
Local ready
Direct docking supported
|