| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017081
BDB017081
|
BDBM382091
CC(C)COc1ccccc1Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
|
C20H21N7O 375.436000 |
RRBCZBSZMNUAFC-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382091; PubChem:CID90407203
|
Local ready
Direct docking supported
|
|
E3L017082
BDB017082
|
BDBM382092
FC(F)(F)c1cccc(Cn2cnc(-c3cc(-c4nn[nH]n4)ccn3)c2)c1Cl
|
C17H11ClF3N7 405.771000 |
IWXQPCTUWUKXSM-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382092; PubChem:CID90407044
|
Local ready
Direct docking supported
|
|
E3L017083
BDB017083
|
BDBM382093
c1ccc2c(Cn3cnc(-c4cc(-c5nn[nH]n5)ccn4)c3)cccc2c1
|
C20H15N7 353.389000 |
RWLJOLCFWMAJGE-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382093; PubChem:CID90407343
|
Local ready
Direct docking supported
|
|
E3L017084
BDB017084
|
BDBM382094
FC(F)(F)Oc1ccccc1Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
|
C17H12F3N7O 387.325000 |
DSHWUABDXNNPOI-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382094; PubChem:CID90407265
|
Local ready
Direct docking supported
|
|
E3L017085
BDB017085
|
BDBM382095
CC(c1ccccc1Cl)n1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
|
C17H14ClN7 351.801000 |
VSPJHNXAOMARQG-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382095; PubChem:CID90407836
|
Local ready
Direct docking supported
|
|
E3L017086
BDB017086
|
BDBM382096
Clc1cccc(Cn2cnc(-c3cc(-c4nn[nH]n4)ccn3)c2)c1Cl
|
C16H11Cl2N7 372.219000 |
COHJFYQXZDDDSL-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382096; PubChem:CID90407131
|
Local ready
Direct docking supported
|
|
E3L017087
BDB017087
|
BDBM382097
Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1-c1ccc(F)c(OCC(F)(F)F)c1
|
C18H13F4N7O 419.342000 |
SFGZOXOAJXAEAX-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382097; PubChem:CID90408629
|
Local ready
Direct docking supported
|
|
E3L017088
BDB017088
|
BDBM382098
Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1-c1ccc(F)c(OCc2ccccc2)c1
|
C23H18FN7O 427.443000 |
OFVALDKDZDUPRW-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382098; PubChem:CID90407213
|
Local ready
Direct docking supported
|
|
E3L017089
BDB017089
|
BDBM382099
Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1-c1ccc(Cl)c(OCc2ccccc2)c1
|
C23H18ClN7O 443.898000 |
VPBQOPRBDLTHCU-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382099; PubChem:CID90407250
|
Local ready
Direct docking supported
|
|
E3L017090
BDB017090
|
BDBM382100
Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1-c1ccc(F)c(O)c1
|
C16H12FN7O 337.318000 |
QSQHTZMUYGOEGK-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382100; PubChem:CID90407354
|
Local ready
Direct docking supported
|
|
E3L017091
BDB017091
|
BDBM382101
Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1-c1ccc(F)c(C(=O)Nc2ccccc2)c1
|
C23H17FN8O 440.442000 |
JUOZTTXGXKVWCW-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382101; PubChem:CID90407384
|
Local ready
Direct docking supported
|
|
E3L017092
BDB017092
|
BDBM382102
Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1-c1ccc(F)c2ccccc12
|
C20H14FN7 371.379000 |
QYGSSBGCBQNYDV-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382102; PubChem:CID90407420
|
Local ready
Direct docking supported
|
|
E3L017093
BDB017093
|
US10273222, Example 165
Cn1nnc(-c2ccnc(-c3cn(Cc4ccccc4Cl)cn3)c2)n1
|
C17H14ClN7 351.801000 |
LULNZVARULNQAH-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382103; PubChem:CID90407531
|
Local ready
Direct docking supported
|
|
E3L017094
BDB017094
|
US10273222, Example 166
CC(C)(C)C(=O)OCn1nnc(-c2ccnc(-c3cn(Cc4ccccc4Cl)cn3)c2)n1
|
C22H22ClN7O2 451.918000 |
XEETXODNUHEINK-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382104; PubChem:CID90407154
|
Local ready
Direct docking supported
|
|
E3L017095
BDB017095
|
US10273222, Example 167
CC(=O)OCn1nnc(-c2ccnc(-c3cn(Cc4ccccc4Cl)cn3)c2)n1
|
C19H16ClN7O2 409.837000 |
NPCGMBQJXHGUQX-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382105; PubChem:CID90407321
|
Local ready
Direct docking supported
|
|
E3L017096
BDB017096
|
BDBM382106
Fc1ccc(-c2c(-c3cc(-c4nn[nH]n4)ccn3)ncn2Cc2cccc(Cl)c2)c(OCC2CC2)c1
|
C26H21ClFN7O 501.953000 |
FRGDERRCLFFNOX-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382106; PubChem:CID90407032
|
Local ready
Direct docking supported
|
|
E3L017097
BDB017097
|
BDBM383498
COc1ccc2cc(C(=O)C3CCCN(C4CCC4)C3)ccc2c1
|
C21H25NO2 323.436000 |
UFYOJSIAULQKBF-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM383498; PubChem:CID45227790
|
Local ready
Direct docking supported
|
|
E3L017098
BDB017098
|
(3-Chlorophenyl)(1-cyclopentyl-3-piperidinyl)methanone
O=C(c1cccc(Cl)c1)C1CCCN(C2CCCC2)C1
|
C17H22ClNO 291.822000 |
RJZUIWNAWGHYLY-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM383499; PubChem:CID45229652
|
Local ready
Direct docking supported
|
|
E3L017099
BDB017099
|
BDBM383500
COc1ccc(C(=O)C2CCCN(C3CCC3)C2)c(OC)c1
|
C18H25NO3 303.402000 |
MKNOOJFMMRTJJM-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM383500; PubChem:CID45214819
|
Local ready
Direct docking supported
|
|
E3L017100
BDB017100
|
BDBM383501
COc1ccc2cc(C(=O)C3CCCN(C4CCOCC4)C3)ccc2c1
|
C22H27NO3 353.462000 |
YGRWESOLGLUGOL-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM383501; PubChem:CID16188363
|
Local ready
Direct docking supported
|