| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017061
BDB017061
|
BDBM382071
Clc1ccc(-c2c(-c3cc(-c4nn[nH]n4)ccn3)ncn2CCc2ccccc2Cl)cc1
|
C23H17Cl2N7 462.344000 |
WGXLMGBZJXLXOA-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382071; PubChem:CID90407500
|
Local ready
Direct docking supported
|
|
E3L017062
BDB017062
|
BDBM382072
Fc1ccc(-c2c(-c3cc(-c4nn[nH]n4)ccn3)ncn2CC(F)(F)F)cc1
|
C17H11F4N7 389.316000 |
YPXMBUYRTBIECY-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382072; PubChem:CID90407556
|
Local ready
Direct docking supported
|
|
E3L017063
BDB017063
|
BDBM382073
Fc1ccc(-c2c(-c3cc(-c4nn[nH]n4)ccn3)ncn2CC2CC2)cc1
|
C19H16FN7 361.384000 |
KCJJYCIVFYDIRB-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382073; PubChem:CID90406682
|
Local ready
Direct docking supported
|
|
E3L017064
BDB017064
|
BDBM382074
Clc1ccc(-c2c(-c3cc(-c4nn[nH]n4)ccn3)ncn2CC2CC2)cc1
|
C19H16ClN7 377.839000 |
SVBPSIGYLVRIFY-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382074; PubChem:CID90407443
|
Local ready
Direct docking supported
|
|
E3L017065
BDB017065
|
BDBM382075
Fc1ccc(-c2c(-c3cc(-c4nn[nH]n4)ccn3)ncn2Cc2ccccc2Cl)cc1
|
C22H15ClFN7 431.862000 |
BRSDWTFJHHGKFU-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382075; PubChem:CID90407363
|
Local ready
Direct docking supported
|
|
E3L017066
BDB017066
|
US10273222, Example 138
CC(=O)OCn1nnc(-c2ccnc(-c3ncn(Cc4ccccc4Cl)c3-c3ccc(F)cc3)c2)n1
|
C25H19ClFN7O2 503.925000 |
HTJVSOKFRYKNCQ-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382076; PubChem:CID90407317
|
Local ready
Direct docking supported
|
|
E3L017067
BDB017067
|
US10273222, Example 139
CC(C)(C)C(=O)OCn1nnc(-c2ccnc(-c3ncn(Cc4ccccc4Cl)c3-c3ccc(F)cc3)c2)n1
|
C28H25ClFN7O2 546.006000 |
UEEKEMKOZUPLBE-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382077; PubChem:CID90407289
|
Local ready
Direct docking supported
|
|
E3L017068
BDB017068
|
BDBM382078
FC(F)(F)c1ccccc1CCn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
|
C18H14F3N7 385.353000 |
HVUATMMGHIDJOR-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382078; PubChem:CID90407209
|
Local ready
Direct docking supported
|
|
E3L017069
BDB017069
|
BDBM382079
Clc1ccccc1CCn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
|
C17H14ClN7 351.801000 |
MWBHFQQDMCLDJK-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382079; PubChem:CID90407276
|
Local ready
Direct docking supported
|
|
E3L017070
BDB017070
|
BDBM382080
c1ccc2c(CCn3cnc(-c4cc(-c5nn[nH]n5)ccn4)c3)cccc2c1
|
C21H17N7 367.416000 |
QXFLDYAUTAKVLB-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382080; PubChem:CID90407709
|
Local ready
Direct docking supported
|
|
E3L017071
BDB017071
|
BDBM382081
c1ccc2c(c1)CCCC2Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
|
C20H19N7 357.421000 |
AHJAGGVQXVXBBG-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382081; PubChem:CID90408224
|
Local ready
Direct docking supported
|
|
E3L017072
BDB017072
|
BDBM382082
CCC(c1ccccc1)n1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
|
C18H17N7 331.383000 |
RFGNJZHABKKPLK-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382082; PubChem:CID90408135
|
Local ready
Direct docking supported
|
|
E3L017073
BDB017073
|
BDBM382083
CC(C)C(c1ccccc1)n1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
|
C19H19N7 345.410000 |
RNHDGJROFDMRJA-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382083; PubChem:CID90406597
|
Local ready
Direct docking supported
|
|
E3L017074
BDB017074
|
BDBM382084
c1ccc2c(c1)CCC(Cn1cnc(-c3cc(-c4nn[nH]n4)ccn3)c1)C2
|
C20H19N7 357.421000 |
BPQJRTYHBQULJV-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382084; PubChem:CID90407403
|
Local ready
Direct docking supported
|
|
E3L017075
BDB017075
|
BDBM382085
c1ccc2c(c1)CC(Cn1cnc(-c3cc(-c4nn[nH]n4)ccn3)c1)C2
|
C19H17N7 343.394000 |
AEINLPGZMRICQO-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382085; PubChem:CID90407410
|
Local ready
Direct docking supported
|
|
E3L017076
BDB017076
|
BDBM382086
Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1-c1ccc(F)cc1OCc1ccccc1
|
C23H18FN7O 427.443000 |
MTWDWEAIUXPPFE-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382086; PubChem:CID90407309
|
Local ready
Direct docking supported
|
|
E3L017077
BDB017077
|
BDBM382087
CCCCOc1cc(F)ccc1-c1c(-c2cc(-c3nn[nH]n3)ccn2)ncn1C
|
C20H20FN7O 393.426000 |
HWLLTDBRLRZLGC-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382087; PubChem:CID90407415
|
Local ready
Direct docking supported
|
|
E3L017078
BDB017078
|
BDBM382088
Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1-c1ccc(F)cc1OCC1CC1
|
C20H18FN7O 391.410000 |
UNPSHKPWHBDUJV-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382088; PubChem:CID90407597
|
Local ready
Direct docking supported
|
|
E3L017079
BDB017079
|
BDBM382089
Clc1cccc(Cl)c1Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
|
C16H11Cl2N7 372.219000 |
KJLMDBQYMBVZGL-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382089; PubChem:CID90406849
|
Local ready
Direct docking supported
|
|
E3L017080
BDB017080
|
BDBM382090
FC(F)(F)COc1ccccc1Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
|
C18H14F3N7O 401.352000 |
AAXGPTXXOLGEDB-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382090; PubChem:CID90407445
|
Local ready
Direct docking supported
|