| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L016981
BDB016981
|
US10273222, Example 50
CN1CCC(Cn2cnc(-c3cc(C(=O)O)ccn3)c2)CC1
|
C16H20N4O2 300.362000 |
VOWSMTDZMBRMCG-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381991; PubChem:CID90407653
|
Local ready
Direct docking supported
|
|
E3L016982
BDB016982
|
US10273222, Example 51
O=C(O)c1ccnc(-c2cn(CC3CCCO3)cn2)c1
|
C14H15N3O3 273.292000 |
KTVYOZMZDOAGAD-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM381992; PubChem:CID90406645
|
Local ready
Direct docking supported
|
|
E3L016983
BDB016983
|
US10273222, Example 52
O=C(O)c1ccnc(-c2cn(C3CCNC3)cn2)c1
|
C13H14N4O2 258.281000 |
FVWOSXINYHWYTJ-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381993; PubChem:CID90407019
|
Local ready
Direct docking supported
|
|
E3L016984
BDB016984
|
US10273222, Example 53
O=C(O)c1ccnc(-c2cn(CC3CCCN3)cn2)c1
|
C14H16N4O2 272.308000 |
JFCPDRJTGNEZRS-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM381994; PubChem:CID90407894
|
Local ready
Direct docking supported
|
|
E3L016985
BDB016985
|
US10273222, Example 54
CN1CCOC(Cn2cnc(-c3cc(C(=O)O)ccn3)c2)C1
|
C15H18N4O3 302.334000 |
XVIKJBZPEYLLFN-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381995; PubChem:CID90407516
|
Local ready
Direct docking supported
|
|
E3L016986
BDB016986
|
US10273222, Example 55
CN1CCCC(Cn2cnc(-c3cc(C(=O)O)ccn3)c2)C1
|
C16H20N4O2 300.362000 |
BXQUYHCZNDHZJI-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381996; PubChem:CID90407332
|
Local ready
Direct docking supported
|
|
E3L016987
BDB016987
|
US10273222, Example 57
CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)Cc1ccccc1
|
C19H20N4O2 336.395000 |
CODSMUFGDSEQOV-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM381997; PubChem:CID90407031
|
Local ready
Direct docking supported
|
|
E3L016988
BDB016988
|
US10273222, Example 58
CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)c1ccccc1
|
C18H18N4O2 322.368000 |
GUHGGLPTVJEQIO-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM381998; PubChem:CID90407349
|
Local ready
Direct docking supported
|
|
E3L016989
BDB016989
|
US10273222, Example 59
CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)CC1CC1
|
C16H20N4O2 300.362000 |
MBHMCPDRAOESBT-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381999; PubChem:CID90407463
|
Local ready
Direct docking supported
|
|
E3L016990
BDB016990
|
US10273222, Example 60
O=C(O)c1ccnc(-c2cn(CCN3CCCC3=O)cn2)c1
|
C15H16N4O3 300.318000 |
YPVNFSOVJOZZTM-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382000; PubChem:CID90407146
|
Local ready
Direct docking supported
|
|
E3L016991
BDB016991
|
US10273222, Example 61
CC(Cn1cnc(-c2cc(C(=O)O)ccn2)c1)N1CCCC1
|
C16H20N4O2 300.362000 |
AXQRVZDNIHSEAN-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382001; PubChem:CID90407712
|
Local ready
Direct docking supported
|
|
E3L016992
BDB016992
|
US10273222, Example 62
Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
|
C10H9N7 227.231000 |
JYEUQFOUZAUNTD-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382002; PubChem:CID90407594
|
Local ready
Direct docking supported
|
|
E3L016993
BDB016993
|
US10273222, Example 63
c1cc(-c2nn[nH]n2)cc(-c2cn(CCN3CCCC3)cn2)n1
|
C15H18N8 310.365000 |
GGAYQPAKFUJHFR-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382003; PubChem:CID90406923
|
Local ready
Direct docking supported
|
|
E3L016994
BDB016994
|
US10273222, Example 64
CN(CCn1cnc(-c2cc(C(=O)NC#N)ccn2)c1)CC1CC1
|
C17H20N6O 324.388000 |
YLAZXWUGKKWCID-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382004; PubChem:CID90406906
|
Local ready
Direct docking supported
|
|
E3L016995
BDB016995
|
BDBM382005
Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1-c1ccc(F)c(C(=O)NCc2ccccc2)c1
|
C24H19FN8O 454.469000 |
AXLZMGLGGIGAOX-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382005; PubChem:CID90407744
|
Local ready
Direct docking supported
|
|
E3L016996
BDB016996
|
US10273222, Example 66
Cc1cccc(CN(C)CCn2cnc(-c3cc(C(=O)O)ccn3)c2)c1
|
C20H22N4O2 350.422000 |
AAUAYDZBVVCZBG-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382006; PubChem:CID90407098
|
Local ready
Direct docking supported
|
|
E3L016997
BDB016997
|
US10273222, Example 67
Cc1ccc(CN(C)CCn2cnc(-c3cc(C(=O)O)ccn3)c2)cc1
|
C20H22N4O2 350.422000 |
VMAUOSFBQMHMCI-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382007; PubChem:CID90407625
|
Local ready
Direct docking supported
|
|
E3L016998
BDB016998
|
US10273222, Example 68
CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)Cc1ccc(C(F)(F)F)cc1
|
C20H19F3N4O2 404.392000 |
VLKUKBMREASUQY-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382008; PubChem:CID90407088
|
Local ready
Direct docking supported
|
|
E3L016999
BDB016999
|
US10273222, Example 69
CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)Cc1cccc(F)c1
|
C19H19FN4O2 354.385000 |
VCBONARXZAKCOR-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382009; PubChem:CID90407151
|
Local ready
Direct docking supported
|
|
E3L017000
BDB017000
|
US10273222, Example 70
CCN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)Cc1ccc(F)cc1
|
C20H21FN4O2 368.412000 |
APXJVQHWHOFBFC-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382010; PubChem:CID90407392
|
Local ready
Direct docking supported
|