| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012381
BDB012381
|
BDBM264053
O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)c(OCc3ccc(F)cc3)c2)c1
|
C23H17ClFN3O4 453.857000 |
YALQAUZSXADMLL-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264053; PubChem:CID90205020
|
Local ready
Direct docking supported
|
|
E3L012382
BDB012382
|
BDBM264054
O=C(O)c1ccnc(-n2nccc2OCc2ccc(F)c(OCc3ccc(F)cc3)c2)c1
|
C23H17F2N3O4 437.402000 |
JHDVDMCSBXSGFG-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264054; PubChem:CID90205293
|
Local ready
Direct docking supported
|
|
E3L012383
BDB012383
|
BDBM264055
O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)c(OCC3CC3)c2)c1
|
C20H18ClN3O4 399.834000 |
JFUSDWYLUAUIKN-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM264055; PubChem:CID90204990
|
Local ready
Direct docking supported
|
|
E3L012384
BDB012384
|
BDBM264056
O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)c(OCC(F)(F)F)c2)c1
|
C18H13ClF3N3O4 427.766000 |
NUKWFAQUBJIRPU-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264056; PubChem:CID90205172
|
Local ready
Direct docking supported
|
|
E3L012385
BDB012385
|
BDBM264057
Cc1cc(Br)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1
|
C17H14BrN3O3 388.221000 |
SEHBCCOGWMQNBD-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264057; PubChem:CID90205313
|
Local ready
Direct docking supported
|
|
E3L012386
BDB012386
|
BDBM264058
COc1cc(Br)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1
|
C17H14BrN3O4 404.220000 |
BLKDIABUNZWHMB-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264058; PubChem:CID90205478
|
Local ready
Direct docking supported
|
|
E3L012387
BDB012387
|
BDBM264059
Cc1cc(I)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1
|
C17H14IN3O3 435.221000 |
MBJOZIBNEMTKKO-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264059; PubChem:CID90204470
|
Local ready
Direct docking supported
|
|
E3L012388
BDB012388
|
BDBM264060
COc1cc(I)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1
|
C17H14IN3O4 451.220000 |
DNNQPECTYYGIPO-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264060; PubChem:CID90205686
|
Local ready
Direct docking supported
|
|
E3L012389
BDB012389
|
BDBM264061
O=C(O)c1ccnc(-n2nccc2OC2CCc3cc(F)ccc32)c1
|
C18H14FN3O3 339.326000 |
ZPFAMOBPFNYKFI-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264061; PubChem:CID90204945
|
Local ready
Direct docking supported
|
|
E3L012390
BDB012390
|
BDBM264062
O=C(O)c1ccnc(-n2nccc2OC2CCc3cc(Cl)ccc32)c1
|
C18H14ClN3O3 355.781000 |
NFVXMQNDOGMBRE-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264062; PubChem:CID90205146
|
Local ready
Direct docking supported
|
|
E3L012391
BDB012391
|
BDBM264063
O=C(O)c1ccnc(-n2nccc2OC2CCCc3cc(F)ccc32)c1
|
C19H16FN3O3 353.353000 |
QKDSOTUHFJKBQW-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264063; PubChem:CID90204782
|
Local ready
Direct docking supported
|
|
E3L012392
BDB012392
|
BDBM264064
O=C(O)c1ccnc(-n2nccc2OC2CCCc3cc(Cl)ccc32)c1
|
C19H16ClN3O3 369.808000 |
MYEIDQDVSWLKKZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264064; PubChem:CID90205749
|
Local ready
Direct docking supported
|
|
E3L012393
BDB012393
|
BDBM264065
CCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(Cl)c1
|
C18H16ClN3O3 357.797000 |
NCCRYWGVCKYSTJ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264065; PubChem:CID90205247
|
Local ready
Direct docking supported
|
|
E3L012394
BDB012394
|
BDBM264066
CCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(F)c1
|
C18H16FN3O3 341.342000 |
VESNHHASMCDWDO-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264066; PubChem:CID90204967
|
Local ready
Direct docking supported
|
|
E3L012395
BDB012395
|
BDBM264067
O=C(O)c1ccnc(-n2nccc2OCc2ccc(C3CC3)cc2Cl)c1
|
C19H16ClN3O3 369.808000 |
QUEUBIKJDGXLFY-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264067; PubChem:CID90205283
|
Local ready
Direct docking supported
|
|
E3L012396
BDB012396
|
BDBM264068
O=C(O)c1ccnc(-n2nccc2OCc2ccc(C3CC3)cc2F)c1
|
C19H16FN3O3 353.353000 |
WTVJIZOUDVEZFE-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264068; PubChem:CID90205140
|
Local ready
Direct docking supported
|
|
E3L012397
BDB012397
|
BDBM264069
O=C(O)c1ccnc(-n2nccc2OCc2ccc(C3CC3)c(Cl)c2)c1
|
C19H16ClN3O3 369.808000 |
MMZVVWIDZXOSFA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264069; PubChem:CID90205334
|
Local ready
Direct docking supported
|
|
E3L012398
BDB012398
|
BDBM264070
O=C(O)c1ccnc(-n2nccc2OCc2ccc(C3CC3)c(F)c2)c1
|
C19H16FN3O3 353.353000 |
DJOUORRZKJVHJG-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264070; PubChem:CID90205746
|
Local ready
Direct docking supported
|
|
E3L012399
BDB012399
|
BDBM264071
CN(CCc1cnn(-c2cc(C(=O)O)ccn2)c1)Cc1ccc(F)cc1
|
C19H19FN4O2 354.385000 |
NMDDEKBJKMJOQQ-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM264071; PubChem:CID86725666
|
Local ready
Direct docking supported
|
|
E3L012400
BDB012400
|
BDBM264072
CNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(C4CC4)cc3F)c(F)c2F)c1F
|
C23H21F4N5O3S 523.512000 |
HKCOWFAZOPDVRG-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM264072; PubChem:CID156808716
|
Local ready
Direct docking supported
|