| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012661
BDB012661
|
US10040779, Example 8
COc1ccc2c(Nc3cnccc3C(=O)O)nn(C)c2c1
|
C15H14N4O3 298.302000 |
ATHMAOJGWSJVEU-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277711; PubChem:CID90216431
|
Local ready
Direct docking supported
|
|
E3L012662
BDB012662
|
US10040779, Example 9
CCCn1nc(Nc2cnccc2C(=O)O)c2ccccc21
|
C16H16N4O2 296.330000 |
PDGFLQVBIRFKHM-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277712; PubChem:CID90216487
|
Local ready
Direct docking supported
|
|
E3L012663
BDB012663
|
US10040779, Example 10
COCCn1nc(Nc2cnccc2C(=O)O)c2ccccc21
|
C16H16N4O3 312.329000 |
FKELVFOTUZGRLQ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277713; PubChem:CID90216396
|
Local ready
Direct docking supported
|
|
E3L012664
BDB012664
|
US10040779, Example 11
CN(C)CCOCCn1nc(Nc2cnccc2C(=O)O)c2ccccc21
|
C19H23N5O3 369.425000 |
FCXTWOYKEXDPIW-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277714; PubChem:CID90216472
|
Local ready
Direct docking supported
|
|
E3L012665
BDB012665
|
US10040779, Example 12
Cc1ccc2c(c1)c(Nc1cnccc1C(=O)O)nn2C
|
C15H14N4O2 282.303000 |
GSLDPHCBPBZJTH-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277715; PubChem:CID76282290
|
Local ready
Direct docking supported
|
|
E3L012666
BDB012666
|
BDBM277716
Cn1nc(Nc2cnccc2C(=O)O)c2c(F)cccc21
|
C14H11FN4O2 286.266000 |
MVLYGYPENISRGG-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277716; PubChem:CID76282291
|
Local ready
Direct docking supported
|
|
E3L012667
BDB012667
|
BDBM277717
Cn1nc(Nc2cnccc2C(=O)O)c2cc(C(F)(F)F)ccc21
|
C15H11F3N4O2 336.273000 |
KAENTZMGVDLMOP-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277717; PubChem:CID76282292
|
Local ready
Direct docking supported
|
|
E3L012668
BDB012668
|
US10040779, Example 15
CCCn1nc(Nc2cnccc2C(=O)O)c2cc(F)ccc21
|
C16H15FN4O2 314.320000 |
IDYSUPOPUILGCS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277718; PubChem:CID76282293
|
Local ready
Direct docking supported
|
|
E3L012669
BDB012669
|
US10040779, Example 16
O=C(O)c1ccncc1Nc1nn(CC2CC2)c2ccc(F)cc12
|
C17H15FN4O2 326.331000 |
UOBQAYWNNSJSED-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277719; PubChem:CID76282524
|
Local ready
Direct docking supported
|
|
E3L012670
BDB012670
|
US10040779, Example 17
COCCCn1nc(Nc2cnccc2C(=O)O)c2cc(F)ccc21
|
C17H17FN4O3 344.346000 |
HLYIHSPDESETDD-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277720; PubChem:CID76282525
|
Local ready
Direct docking supported
|
|
E3L012671
BDB012671
|
US10040779, Example 18
CCCCCn1nc(Nc2cnccc2C(=O)O)c2cc(F)ccc21
|
C18H19FN4O2 342.374000 |
CAPANHTUNRFSGB-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277721; PubChem:CID76282526
|
Local ready
Direct docking supported
|
|
E3L012672
BDB012672
|
US10040779, Example 19
O=C(O)c1ccncc1Nc1nn(CCc2ccccc2)c2ccc(F)cc12
|
C21H17FN4O2 376.391000 |
DUXQQAGIMQADPV-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277722; PubChem:CID76282527
|
Local ready
Direct docking supported
|
|
E3L012673
BDB012673
|
US10040779, Example 20
CCCn1nc(Nc2cnccc2C(=O)O)c2cccc(F)c21
|
C16H15FN4O2 314.320000 |
LWBSTDMGDQNQBE-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277723; PubChem:CID76282528
|
Local ready
Direct docking supported
|
|
E3L012674
BDB012674
|
US10040779, Example 21
O=C(O)c1ccncc1Nc1nn(CC2CCCO2)c2ccc(F)cc12
|
C18H17FN4O3 356.357000 |
ZXVMZDZMKAVKLI-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277724; PubChem:CID76282529
|
Local ready
Direct docking supported
|
|
E3L012675
BDB012675
|
US10040779, Example 22
CN(C)CCCCCn1nc(Nc2cnccc2C(=O)O)c2cc(F)ccc21
|
C20H24FN5O2 385.443000 |
MQQZOGVKWBMWFV-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277725; PubChem:CID76282530
|
Local ready
Direct docking supported
|
|
E3L012676
BDB012676
|
US10040779, Example 23
O=C(O)c1ccncc1Nc1nn(CC(F)(F)F)c2ccc(F)cc12
|
C15H10F4N4O2 354.263000 |
GPQRBFHFXGPAFQ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277726; PubChem:CID76282766
|
Local ready
Direct docking supported
|
|
E3L012677
BDB012677
|
US10040779, Example 24
O=C(O)c1ccncc1Nc1nn(Cc2ccccc2)c2ccc(F)cc12
|
C20H15FN4O2 362.364000 |
XPBGYJQDZOLQAL-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277727; PubChem:CID76282767
|
Local ready
Direct docking supported
|
|
E3L012678
BDB012678
|
US10040779, Example 25
CC(C)Cn1nc(Nc2cnccc2C(=O)O)c2cc(F)ccc21
|
C17H17FN4O2 328.347000 |
SNMVREBHKJIHNN-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277728; PubChem:CID76282768
|
Local ready
Direct docking supported
|
|
E3L012679
BDB012679
|
US10040779, Example 26
CCC(C)n1nc(Nc2cnccc2C(=O)O)c2cc(F)ccc21
|
C17H17FN4O2 328.347000 |
QXZXMNIQTVHMQP-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277729; PubChem:CID76282769
|
Local ready
Direct docking supported
|
|
E3L012680
BDB012680
|
US10040779, Example 27
CN(C)CCOCCn1nc(Nc2cnccc2C(=O)O)c2cc(F)ccc21
|
C19H22FN5O3 387.415000 |
NYSUAXALBQGPDH-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277730; PubChem:CID76282770
|
Local ready
Direct docking supported
|