| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012361
BDB012361
|
BDBM264033
O=C(O)c1ccnc(-n2nccc2OCc2ccc(F)cc2OCc2ccc(F)cc2)c1
|
C23H17F2N3O4 437.402000 |
YMWREFXLGWZZOR-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264033; PubChem:CID90205403
|
Local ready
Direct docking supported
|
|
E3L012362
BDB012362
|
BDBM264034
O=C(O)c1ccnc(-n2nccc2OCc2ccc(F)cc2/C=C/c2ccc(F)cc2)c1
|
C24H17F2N3O3 433.414000 |
MFXLJRSRCQXMLR-DAFODLJHSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264034; PubChem:CID90205163
|
Local ready
Direct docking supported
|
|
E3L012363
BDB012363
|
BDBM264035
O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)cc2/C=C/c2ccc(F)cc2)c1
|
C24H17ClFN3O3 449.869000 |
BVUXJIUJKSADTM-DAFODLJHSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264035; PubChem:CID90205347
|
Local ready
Direct docking supported
|
|
E3L012364
BDB012364
|
BDBM264036
O=C(O)c1ccnc(-n2nccc2OCc2ccc(F)cc2CCc2ccc(F)cc2)c1
|
C24H19F2N3O3 435.430000 |
OYXGRLHUDVMFKK-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264036; PubChem:CID90205207
|
Local ready
Direct docking supported
|
|
E3L012365
BDB012365
|
BDBM264037
O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)cc2CCc2ccc(F)cc2)c1
|
C24H19ClFN3O3 451.885000 |
KBYPMYYZRUNPRA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264037; PubChem:CID90204957
|
Local ready
Direct docking supported
|
|
E3L012366
BDB012366
|
BDBM264038
O=C(O)c1ccnc(-n2nccc2OCc2cccc3c2OCC3)c1
|
C18H15N3O4 337.335000 |
ILTCPDIVBYUMLZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264038; PubChem:CID90204832
|
Local ready
Direct docking supported
|
|
E3L012367
BDB012367
|
BDBM264039
CC1(C)Cc2cccc(COc3ccnn3-c3cc(C(=O)O)ccn3)c2O1
|
C20H19N3O4 365.389000 |
XUYSGGCAQKHJKY-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264039; PubChem:CID90205124
|
Local ready
Direct docking supported
|
|
E3L012368
BDB012368
|
BDBM264040
Cc1cc(C#N)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1
|
C18H14N4O3 334.335000 |
HWBFUMCZKFJIFB-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264040; PubChem:CID86725619
|
Local ready
Direct docking supported
|
|
E3L012369
BDB012369
|
BDBM264041
CCc1cc(C#N)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1
|
C19H16N4O3 348.362000 |
LFHDOSKLOQHEPU-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264041; PubChem:CID90205651
|
Local ready
Direct docking supported
|
|
E3L012370
BDB012370
|
BDBM264042
CCc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1
|
C18H16ClN3O3 357.797000 |
HYSAXCDPGIPIAF-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264042; PubChem:CID90205594
|
Local ready
Direct docking supported
|
|
E3L012371
BDB012371
|
BDBM264043
Cc1cc(F)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1
|
C17H14FN3O3 327.315000 |
NHSZAIFDCXEIFA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264043; PubChem:CID90204444
|
Local ready
Direct docking supported
|
|
E3L012372
BDB012372
|
BDBM264044
CCc1cc(F)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1
|
C18H16FN3O3 341.342000 |
LFTMQFRCMXWVBO-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264044; PubChem:CID90205402
|
Local ready
Direct docking supported
|
|
E3L012373
BDB012373
|
BDBM264045
Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(Cl)c1
|
C17H14ClN3O3 343.770000 |
BNEDYWDXODJLAY-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM264045; PubChem:CID90205412
|
Local ready
Direct docking supported
|
|
E3L012374
BDB012374
|
BDBM264046
Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(F)c1
|
C17H14FN3O3 327.315000 |
TVOKPAHWCXXTHY-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264046; PubChem:CID90205078
|
Local ready
Direct docking supported
|
|
E3L012375
BDB012375
|
BDBM264047
Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(C)c1
|
C18H17N3O3 323.352000 |
ZQNXWEZQRNBWCU-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264047; PubChem:CID90205145
|
Local ready
Direct docking supported
|
|
E3L012376
BDB012376
|
BDBM264048
COc1cc(C)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1
|
C18H17N3O4 339.351000 |
WAPIESSEOAYVNJ-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM264048; PubChem:CID90204780
|
Local ready
Direct docking supported
|
|
E3L012377
BDB012377
|
BDBM264049
Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(C#N)c1
|
C18H14N4O3 334.335000 |
VFQWDEDHEXEJLC-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264049; PubChem:CID90205742
|
Local ready
Direct docking supported
|
|
E3L012378
BDB012378
|
BDBM264050
CCc1cc(C)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1
|
C19H19N3O3 337.379000 |
RPOONZXSYGAYQG-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264050; PubChem:CID90205194
|
Local ready
Direct docking supported
|
|
E3L012379
BDB012379
|
BDBM264051
CC(Oc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1)c1ccccc1
|
C24H20ClN3O4 449.894000 |
GBJNSFXBUOTPIV-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264051; PubChem:CID90211067
|
Local ready
Direct docking supported
|
|
E3L012380
BDB012380
|
BDBM264052
CC(Oc1cc(F)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1)c1ccccc1
|
C24H20FN3O4 433.439000 |
UQZWANPYQUOQKJ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM264052; PubChem:CID90211105
|
Local ready
Direct docking supported
|