| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L014141
BDB014141
|
BDBM319648
COc1ccc(Cn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)cc1
|
C19H15F3N6O 400.364000 |
OCDGBDZHGDKNCY-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319648; PubChem:CID121454370
|
Local ready
Direct docking supported
|
|
E3L014142
BDB014142
|
BDBM319649
Fc1ccc(Cn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)c(F)c1
|
C18H11F5N6 406.318000 |
LABVGZXSSYPADP-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319649; PubChem:CID121454363
|
Local ready
Direct docking supported
|
|
E3L014143
BDB014143
|
BDBM319650
Fc1cccc(F)c1Cn1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1
|
C18H11F5N6 406.318000 |
IWDRGPRCYVKETN-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319650; PubChem:CID121454338
|
Local ready
Direct docking supported
|
|
E3L014144
BDB014144
|
BDBM319651
Cc1cc(F)ccc1Cn1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1
|
C19H14F4N6 402.355000 |
SLSUNARBUPMOHO-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319651; PubChem:CID121454380
|
Local ready
Direct docking supported
|
|
E3L014145
BDB014145
|
BDBM319652
Cc1ccc(Cn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)c(F)c1
|
C19H14F4N6 402.355000 |
IFAXJYHBQSLMLL-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319652; PubChem:CID121454328
|
Local ready
Direct docking supported
|
|
E3L014146
BDB014146
|
BDBM319653
FC(F)(F)c1[nH]nnc1-c1ccnc(-c2cn(Cc3ccccc3)cn2)c1
|
C18H13F3N6 370.338000 |
CFLXWMJCWGKVFJ-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319653; PubChem:CID121454336
|
Local ready
Direct docking supported
|
|
E3L014147
BDB014147
|
BDBM319654
CC(c1ccccc1)n1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1
|
C19H15F3N6 384.365000 |
HDWCWNNKLHTKJH-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319654; PubChem:CID121454345
|
Local ready
Direct docking supported
|
|
E3L014148
BDB014148
|
BDBM319655
CCC(c1ccccc1)n1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1
|
C20H17F3N6 398.392000 |
GECGVADGXPWZOI-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319655; PubChem:CID118971936
|
Local ready
Direct docking supported
|
|
E3L014149
BDB014149
|
BDBM319656
CC(C)C(c1ccccc1)n1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1
|
C21H19F3N6 412.419000 |
OAHACOXPLGQGIK-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319656; PubChem:CID118971942
|
Local ready
Direct docking supported
|
|
E3L014150
BDB014150
|
BDBM319657
COCCNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOC(C)(C)C)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C26H28F4IN5O5S 725.503000 |
UAFZNGTVQDQROK-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM319657; PubChem:CID156808758
|
Local ready
Direct docking supported
|
|
E3L014151
BDB014151
|
BDBM319658
CNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOC(C)C)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C23H22F4IN5O4S 667.423000 |
GLOUSHGJLYWNJY-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM319658; PubChem:CID156808831
|
Local ready
Direct docking supported
|
|
E3L014152
BDB014152
|
BDBM319659
Fc1cccc(CCn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)c1
|
C19H14F4N6 402.355000 |
BBWOOOREENNAAQ-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319659; PubChem:CID121454343
|
Local ready
Direct docking supported
|
|
E3L014153
BDB014153
|
BDBM319660
Fc1cccc(CCn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)c1F
|
C19H13F5N6 420.345000 |
HABRUZUOJOMEMB-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319660; PubChem:CID121454389
|
Local ready
Direct docking supported
|
|
E3L014154
BDB014154
|
BDBM319661
Fc1cccc(Cl)c1CCn1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1
|
C19H13ClF4N6 436.800000 |
QOOHLXDCOHAFJS-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319661; PubChem:CID121454375
|
Local ready
Direct docking supported
|
|
E3L014155
BDB014155
|
BDBM319662
Fc1cc(F)c(CCn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)cc1F
|
C19H12F6N6 438.335000 |
MRBFFDHADFWESD-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319662; PubChem:CID121454368
|
Local ready
Direct docking supported
|
|
E3L014156
BDB014156
|
BDBM319663
Fc1cc(F)c(CCn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)c(F)c1
|
C19H12F6N6 438.335000 |
HUYPSMCWEAVAHQ-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319663; PubChem:CID121454352
|
Local ready
Direct docking supported
|
|
E3L014157
BDB014157
|
BDBM319664
FC(F)(F)c1[nH]nnc1-c1ccnc(-c2cn(CC3CCc4ccccc43)cn2)c1
|
C21H17F3N6 410.403000 |
JAGKRJVLUACVQE-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319664; PubChem:CID121454392
|
Local ready
Direct docking supported
|
|
E3L014158
BDB014158
|
BDBM319665
Fc1ccccc1CCn1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1
|
C19H14F4N6 402.355000 |
JCPHXPGNGSEBCP-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319665; PubChem:CID121454399
|
Local ready
Direct docking supported
|
|
E3L014159
BDB014159
|
BDBM319666
Fc1ccc2c(c1)C(n1cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c1)CC2
|
C20H14F4N6 414.366000 |
GUGUWBOCGPLYEC-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319666; PubChem:CID121454364
|
Local ready
Direct docking supported
|
|
E3L014160
BDB014160
|
BDBM319667
Fc1ccc(CCn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)c(F)c1
|
C19H13F5N6 420.345000 |
BIIHYOYHDJBOEE-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319667; PubChem:CID121454330
|
Local ready
Direct docking supported
|