| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012681
BDB012681
|
US10040779, Example 28
O=C(O)c1ccncc1Nc1nn(CC2CCC2)c2ccc(F)cc12
|
C18H17FN4O2 340.358000 |
GBPMUZDFXMYGAC-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277731; PubChem:CID76282771
|
Local ready
Direct docking supported
|
|
E3L012682
BDB012682
|
US10040779, Example 30
O=C(O)c1ccncc1Nc1nn(CC2CCCC2)c2ccc(F)cc12
|
C19H19FN4O2 354.385000 |
ZIISMGYCXSHSOU-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277733; PubChem:CID76283013
|
Local ready
Direct docking supported
|
|
E3L012683
BDB012683
|
US10040779, Example 31
O=C(O)c1ccncc1Nc1nn(CCC2CC2)c2ccc(F)cc12
|
C18H17FN4O2 340.358000 |
RZRBXNVMYQYJPK-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277734; PubChem:CID76283014
|
Local ready
Direct docking supported
|
|
E3L012684
BDB012684
|
US10040779, Example 32
O=C(O)c1ccncc1Nc1nn(CCC(F)(F)F)c2ccc(F)cc12
|
C16H12F4N4O2 368.290000 |
MOGZWNQNKQFXNI-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277735; PubChem:CID76283015
|
Local ready
Direct docking supported
|
|
E3L012685
BDB012685
|
US10040779, Example 33
CCCn1nc(Nc2cnccc2C(=O)O)c2cc(Cl)ccc21
|
C16H15ClN4O2 330.775000 |
ASGLMUMSWBQYBM-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277736; PubChem:CID90217060
|
Local ready
Direct docking supported
|
|
E3L012686
BDB012686
|
US10040779, Example 34
O=C(O)c1ccncc1Nc1nn(CC2CC2)c2ccc(Cl)cc12
|
C17H15ClN4O2 342.786000 |
CEQIRGOSROIKND-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277737; PubChem:CID76283016
|
Local ready
Direct docking supported
|
|
E3L012687
BDB012687
|
US10040779, Example 35
O=C(O)c1ccncc1Nc1nn(CCC(F)(F)F)c2ccc(Cl)cc12
|
C16H12ClF3N4O2 384.745000 |
RWMFBPHVUBQDQE-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277738; PubChem:CID76283017
|
Local ready
Direct docking supported
|
|
E3L012688
BDB012688
|
US10040779, Example 36
CCn1nc(Nc2cnccc2C(=O)O)c2cc(C)ccc21
|
C16H16N4O2 296.330000 |
HJYLZMOMYZSYOU-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277739; PubChem:CID76283018
|
Local ready
Direct docking supported
|
|
E3L012689
BDB012689
|
US10040779, Example 37
Cc1ccc2c(c1)c(Nc1cnccc1C(=O)O)nn2CC1CC1
|
C18H18N4O2 322.368000 |
YWUCPKBZEIIOAT-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277740; PubChem:CID76283019
|
Local ready
Direct docking supported
|
|
E3L012690
BDB012690
|
US10040779, Example 38
CCCn1nc(Nc2cnccc2C(=O)O)c2cc(C)ccc21
|
C17H18N4O2 310.357000 |
ZWCIANXPJYGVEM-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277741; PubChem:CID76283257
|
Local ready
Direct docking supported
|
|
E3L012691
BDB012691
|
US10040779, Example 39
Cc1ccc2c(c1)c(Nc1cnccc1C(=O)O)nn2CCC(F)(F)F
|
C17H15F3N4O2 364.327000 |
KTXTWMVOBPWQQA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277742; PubChem:CID76283258
|
Local ready
Direct docking supported
|
|
E3L012692
BDB012692
|
US10040779, Example 40
CN(C)CCOCCn1nc(Nc2cnccc2C(=O)O)c2cc(Cl)ccc21
|
C19H22ClN5O3 403.870000 |
UVNHWAUUTHBCHA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277743; PubChem:CID76283259
|
Local ready
Direct docking supported
|
|
E3L012693
BDB012693
|
US10040779, Example 41
CN1CCC(CCn2nc(Nc3cnccc3C(=O)O)c3cc(F)ccc32)CC1
|
C21H24FN5O2 397.454000 |
JITWKGJFUDNUKH-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277744; PubChem:CID76283260
|
Local ready
Direct docking supported
|
|
E3L012694
BDB012694
|
US10040779, Example 42
O=C(O)c1ccncc1Nc1nn(CCCO)c2ccc(F)cc12
|
C16H15FN4O3 330.319000 |
CGRMYBDLLLMQAP-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277745; PubChem:CID76283261
|
Local ready
Direct docking supported
|
|
E3L012695
BDB012695
|
US10040779, Example 43
CN(C)CCCCn1nc(Nc2cnccc2C(=O)O)c2cc(F)ccc21
|
C19H22FN5O2 371.416000 |
MKOFRAGCHOKWHT-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277746; PubChem:CID76283262
|
Local ready
Direct docking supported
|
|
E3L012696
BDB012696
|
US10040779, Example 44
O=C(O)c1ccncc1Nc1nn(CCCCCO)c2ccc(F)cc12
|
C18H19FN4O3 358.373000 |
AEPRJEGBYCRNTO-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277747; PubChem:CID76283263
|
Local ready
Direct docking supported
|
|
E3L012697
BDB012697
|
US10040779, Example 45
CCCn1nc(Nc2cnccc2C(=O)O)c2cccc(C)c21
|
C17H18N4O2 310.357000 |
RYUCMQFLZGMKOS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277748; PubChem:CID76283497
|
Local ready
Direct docking supported
|
|
E3L012698
BDB012698
|
US10040779, Example 46
CNCCCCCn1nc(Nc2cnccc2C(=O)O)c2cc(Cl)ccc21
|
C19H22ClN5O2 387.871000 |
SZRHCHHPOFLIEC-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277749; PubChem:CID76283498
|
Local ready
Direct docking supported
|
|
E3L012699
BDB012699
|
US10040779, Example 47
O=C(O)c1ccncc1Nc1nn(CCC2CCCNC2)c2ccc(F)cc12
|
C20H22FN5O2 383.427000 |
RWXZMWWDSPELBT-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277750; PubChem:CID76283499
|
Local ready
Direct docking supported
|
|
E3L012700
BDB012700
|
US10040779, Example 48
O=C(O)c1ccncc1Nc1nn(CC(O)CO)c2ccc(F)cc12
|
C16H15FN4O4 346.318000 |
WYAXBVXPRPCMSW-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277751; PubChem:CID76283500
|
Local ready
Direct docking supported
|