| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L016941
BDB016941
|
US10273222, Example 6
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(C(F)(F)F)cc1
|
C17H12F3N3O2 347.296000 |
QVMZIUFZNIYZPB-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM381935; PubChem:CID90407645
|
Local ready
Direct docking supported
|
|
E3L016942
BDB016942
|
US10273222, Example 7
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(C2CC2)cc1
|
C19H17N3O2 319.364000 |
UWUTURLDMHWALT-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM381936; PubChem:CID90407490
|
Local ready
Direct docking supported
|
|
E3L016943
BDB016943
|
US10273222, Example 9
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(C(C)(C)C)cc1
|
C20H21N3O2 335.407000 |
MDRIPRQWTFFXTF-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381937; PubChem:CID90407060
|
Local ready
Direct docking supported
|
|
E3L016944
BDB016944
|
US10273222, Example 10
CNC(=O)c1cccc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)c1
|
C18H16N4O3 336.351000 |
IOCMNXRIFNSUHI-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381938; PubChem:CID90407322
|
Local ready
Direct docking supported
|
|
E3L016945
BDB016945
|
US10273222, Example 11
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1cccc(CO)c1
|
C17H15N3O3 309.325000 |
YWMPCCYNGABIMS-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381939; PubChem:CID90407067
|
Local ready
Direct docking supported
|
|
E3L016946
BDB016946
|
US10273222, Example 13
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(OC(F)(F)F)cc1
|
C17H12F3N3O3 363.295000 |
OTBZGJHFGXDSHF-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381941; PubChem:CID90407339
|
Local ready
Direct docking supported
|
|
E3L016947
BDB016947
|
US10273222, Example 14
CCOc1ccc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)cc1
|
C18H17N3O3 323.352000 |
MYWICJXUGCWVAW-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381942; PubChem:CID90407279
|
Local ready
Direct docking supported
|
|
E3L016948
BDB016948
|
US10273222, Example 15
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(-n2cccn2)cc1
|
C19H15N5O2 345.362000 |
ZQVGHRRKWOITDJ-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381943; PubChem:CID90407430
|
Local ready
Direct docking supported
|
|
E3L016949
BDB016949
|
US10273222, Example 17
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(C2(CO)CC2)cc1
|
C20H19N3O3 349.390000 |
VKYGALNDGSAUBY-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381945; PubChem:CID90407646
|
Local ready
Direct docking supported
|
|
E3L016950
BDB016950
|
US10273222, Example 18
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(N2CCCC2)cc1
|
C20H20N4O2 348.406000 |
RYHMPYHFLUZIAQ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381946; PubChem:CID90407470
|
Local ready
Direct docking supported
|
|
E3L016951
BDB016951
|
US10273222, Example 19
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(Cl)cc1
|
C16H12ClN3O2 313.744000 |
UQVSSWJZBFXFEN-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381947; PubChem:CID90406852
|
Local ready
Direct docking supported
|
|
E3L016952
BDB016952
|
US10273222, Example 20
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1cccc(Cl)c1
|
C16H12ClN3O2 313.744000 |
WHDIGPINEOYMPY-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381948; PubChem:CID90408182
|
Local ready
Direct docking supported
|
|
E3L016953
BDB016953
|
US10273222, Example 21
C#Cc1ccc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)cc1
|
C18H13N3O2 303.321000 |
JHTVAONQTGIKOP-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381949; PubChem:CID90406840
|
Local ready
Direct docking supported
|
|
E3L016954
BDB016954
|
US10273222, Example 22
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc2cc[nH]c2c1
|
C18H14N4O2 318.336000 |
YSKDANZJZJAOHN-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381950; PubChem:CID90407437
|
Local ready
Direct docking supported
|
|
E3L016955
BDB016955
|
US10273222, Example 23
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(F)cc1
|
C16H12FN3O2 297.289000 |
ONKWECDQZPASOC-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM381951; PubChem:CID90407242
|
Local ready
Direct docking supported
|
|
E3L016956
BDB016956
|
US10273222, Example 24
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1cccc(F)c1
|
C16H12FN3O2 297.289000 |
IEUSSUSUNMFYEH-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM381952; PubChem:CID90407307
|
Local ready
Direct docking supported
|
|
E3L016957
BDB016957
|
US10273222, Example 25
COCC1(c2ccc(-c3c(-c4cc(C(=O)O)ccn4)ncn3C)cc2)CC1
|
C21H21N3O3 363.417000 |
IGZZKOJEHRREEV-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381956; PubChem:CID90407041
|
Local ready
Direct docking supported
|
|
E3L016958
BDB016958
|
US10273222, Example 26
Cc1cc(Cl)ccc1-c1c(-c2cc(C(=O)O)ccn2)ncn1C
|
C17H14ClN3O2 327.771000 |
MVUYWQFICDCDEN-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381962; PubChem:CID90407838
|
Local ready
Direct docking supported
|
|
E3L016959
BDB016959
|
US10273222, Example 27
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(Cl)cc1C(F)(F)F
|
C17H11ClF3N3O2 381.741000 |
GOMLARFYKWXBIU-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM381969; PubChem:CID90407517
|
Local ready
Direct docking supported
|
|
E3L016960
BDB016960
|
US10273222, Example 28
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(Cl)c(Cl)c1
|
C16H11Cl2N3O2 348.189000 |
ARTQZTMWQJINSR-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381970; PubChem:CID90407590
|
Local ready
Direct docking supported
|