| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017001
BDB017001
|
US10273222, Example 71
O=C(O)c1ccnc(-c2cn(CCN(Cc3ccc(F)cc3)C3CC3)cn2)c1
|
C21H21FN4O2 380.423000 |
SGSDGKOZKXKUJL-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382011; PubChem:CID85470886
|
Local ready
Direct docking supported
|
|
E3L017002
BDB017002
|
US10273222, Example 72
O=C(O)c1ccnc(-c2cn(CCNCC3CCC(F)(F)CC3)cn2)c1
|
C18H22F2N4O2 364.396000 |
LINOVANVVSYFAN-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382012; PubChem:CID90407508
|
Local ready
Direct docking supported
|
|
E3L017003
BDB017003
|
US10273222, Example 73
O=C(O)c1ccnc(-c2cn(CCNCC3CC(F)(F)C3)cn2)c1
|
C16H18F2N4O2 336.342000 |
QVDRDNVABMUEIS-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382013; PubChem:CID90407315
|
Local ready
Direct docking supported
|
|
E3L017004
BDB017004
|
US10273222, Example 74
O=C(O)c1ccnc(-c2cn(CCNCc3ccc(F)cc3)cn2)c1
|
C18H17FN4O2 340.358000 |
AVCRDDXMLCGJOG-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382014; PubChem:CID90407164
|
Local ready
Direct docking supported
|
|
E3L017005
BDB017005
|
US10273222, Example 75
O=C(O)c1ccnc(-c2cn(CCNCc3ccccc3C(F)(F)F)cn2)c1
|
C19H17F3N4O2 390.365000 |
OQLLMIKQRVHOSV-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382015; PubChem:CID90407311
|
Local ready
Direct docking supported
|
|
E3L017006
BDB017006
|
US10273222, Example 76
O=C(O)c1ccnc(-c2cn(CCN3Cc4ccccc4C3)cn2)c1
|
C19H18N4O2 334.379000 |
HCQJMYQADHVXJR-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382016; PubChem:CID90407046
|
Local ready
Direct docking supported
|
|
E3L017007
BDB017007
|
US10273222, Example 77
COc1ccccc1CNCCn1cnc(-c2cc(C(=O)O)ccn2)c1
|
C19H20N4O3 352.394000 |
HNCSOLMMKKZZJS-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382017; PubChem:CID90406604
|
Local ready
Direct docking supported
|
|
E3L017008
BDB017008
|
US10273222, Example 78
O=C(O)c1ccnc(-c2cn(CCNCc3ccccc3Cl)cn2)c1
|
C18H17ClN4O2 356.813000 |
HXFAEJNSXYWOET-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382018; PubChem:CID90407377
|
Local ready
Direct docking supported
|
|
E3L017009
BDB017009
|
US10273222, Example 79
O=C(O)c1ccnc(-c2cn(CCN3Cc4ccc(F)cc4C3)cn2)c1
|
C19H17FN4O2 352.369000 |
ZGPYPJSEAHWBHB-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382019; PubChem:CID90406725
|
Local ready
Direct docking supported
|
|
E3L017010
BDB017010
|
US10273222, Example 80
CCc1ccccc1CNCCn1cnc(-c2cc(C(=O)O)ccn2)c1
|
C20H22N4O2 350.422000 |
MXDWGKFISZYZNE-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382020; PubChem:CID90407148
|
Local ready
Direct docking supported
|
|
E3L017011
BDB017011
|
US10273222, Example 81
O=C(O)c1ccnc(-c2cn(CCN3Cc4cccc(Cl)c4C3)cn2)c1
|
C19H17ClN4O2 368.824000 |
BXYJBQPBSKKOAB-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382021; PubChem:CID90407042
|
Local ready
Direct docking supported
|
|
E3L017012
BDB017012
|
US10273222, Example 82
O=C(O)c1ccnc(-c2cn(CCN3Cc4ccc(Cl)cc4C3)cn2)c1
|
C19H17ClN4O2 368.824000 |
UYWBZRYCSOAEIC-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382022; PubChem:CID90408009
|
Local ready
Direct docking supported
|
|
E3L017013
BDB017013
|
US10273222, Example 83
N#Cc1cccc2c1CN(CCn1cnc(-c3cc(C(=O)O)ccn3)c1)C2
|
C20H17N5O2 359.389000 |
LAEIVQMOCJOJOW-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382023; PubChem:CID90407237
|
Local ready
Direct docking supported
|
|
E3L017014
BDB017014
|
US10273222, Example 84
O=C(O)c1ccnc(-c2cn(CCN3Cc4ccc(C(F)(F)F)cc4C3)cn2)c1
|
C20H17F3N4O2 402.376000 |
MBCNXHQXPLPFAW-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382024; PubChem:CID90407344
|
Local ready
Direct docking supported
|
|
E3L017015
BDB017015
|
US10273222, Example 85
O=C(O)c1ccnc(-c2cn(CCN(Cc3ccc(Cl)cc3)C3CC3)cn2)c1
|
C21H21ClN4O2 396.878000 |
QMWNMEXTTOKHRE-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382025; PubChem:CID90407266
|
Local ready
Direct docking supported
|
|
E3L017016
BDB017016
|
US10273222, Example 86
O=C(O)c1ccnc(-c2cn(CCN(Cc3ccc(Cl)c(Cl)c3)C3CC3)cn2)c1
|
C21H20Cl2N4O2 431.323000 |
BBESHVKYJDBNOB-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382026; PubChem:CID90407145
|
Local ready
Direct docking supported
|
|
E3L017017
BDB017017
|
US10273222, Example 87
CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)c1ccc(Cl)cc1
|
C18H17ClN4O2 356.813000 |
LYECZDRRRZNARD-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382027; PubChem:CID86269079
|
Local ready
Direct docking supported
|
|
E3L017018
BDB017018
|
US10273222, Example 88
O=C(O)c1ccnc(-c2cn(CCN3CCCc4ccccc43)cn2)c1
|
C20H20N4O2 348.406000 |
XSSUXYYELFOOBB-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382028; PubChem:CID86269080
|
Local ready
Direct docking supported
|
|
E3L017019
BDB017019
|
US10273222, Example 89
O=C(O)c1ccnc(-c2cn(CCN3CCCc4cc(Cl)ccc43)cn2)c1
|
C20H19ClN4O2 382.851000 |
HNQJHFKEFOZLKD-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382029; PubChem:CID86269081
|
Local ready
Direct docking supported
|
|
E3L017020
BDB017020
|
US10273222, Example 90
O=C(O)c1ccnc(-c2cn(CCN3CCCc4cc(F)ccc43)cn2)c1
|
C20H19FN4O2 366.396000 |
HFKOFUFQGTVMPB-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382030; PubChem:CID86269082
|
Local ready
Direct docking supported
|