| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012701
BDB012701
|
US10040779, Example 49
CN(C)CC#CCn1nc(Nc2cnccc2C(=O)O)c2cc(Cl)ccc21
|
C19H18ClN5O2 383.839000 |
SOEWINCZRHHVHP-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277752; PubChem:CID76283501
|
Local ready
Direct docking supported
|
|
E3L012702
BDB012702
|
US10040779, Example 50
O=C(O)c1ccncc1Nc1nn(CCN2CCCC2)c2ccc(F)cc12
|
C19H20FN5O2 369.400000 |
HFQCUTRLHUHLRB-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277753; PubChem:CID76283502
|
Local ready
Direct docking supported
|
|
E3L012703
BDB012703
|
US10040779, Example 51
CC(O)Cn1nc(Nc2cnccc2C(=O)O)c2cc(F)ccc21
|
C16H15FN4O3 330.319000 |
NWYDAARTNRHROH-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277754; PubChem:CID76283503
|
Local ready
Direct docking supported
|
|
E3L012704
BDB012704
|
BDBM277756
CCCn1nc(Nc2cnccc2C(=O)O)c2cc(C#N)ccc21
|
C17H15N5O2 321.340000 |
DLPLLXCALGBBQG-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277756; PubChem:CID76283752
|
Local ready
Direct docking supported
|
|
E3L012705
BDB012705
|
US10040779, Example 54
O=C(O)c1ccncc1Nc1nn(C2CCOC2)c2ccc(F)cc12
|
C17H15FN4O3 342.330000 |
CLACBXJUUICJKS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277757; PubChem:CID76283753
|
Local ready
Direct docking supported
|
|
E3L012706
BDB012706
|
US10040779, Example 55
O=C(O)c1ccncc1Nc1nn(CC(O)C(F)(F)F)c2ccc(F)cc12
|
C16H12F4N4O3 384.289000 |
NJPHSBFEDZSMAZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277758; PubChem:CID76283754
|
Local ready
Direct docking supported
|
|
E3L012707
BDB012707
|
US10040779, Example 56
O=C(O)c1ccncc1Nc1nn(CCN2CCOCC2)c2ccc(F)cc12
|
C19H20FN5O3 385.399000 |
OSXWYQZVDLLCFQ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277759; PubChem:CID76283755
|
Local ready
Direct docking supported
|
|
E3L012708
BDB012708
|
US10040779, Example 57
CCCn1cc(Nc2cnccc2C(=O)O)c2cc(F)ccc21
|
C17H16FN3O2 313.332000 |
FDILHQJCFKWROO-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277760; PubChem:CID76283756
|
Local ready
Direct docking supported
|
|
E3L012709
BDB012709
|
US10040779, Example 58
CN1CCOC(CCn2nc(Nc3cnccc3C(=O)O)c3cc(F)ccc32)C1
|
C20H22FN5O3 399.426000 |
DNOHWOWSEKJTNK-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277761; PubChem:CID90216453
|
Local ready
Direct docking supported
|
|
E3L012710
BDB012710
|
US10040779, Example 59
O=C(O)c1ccncc1Nc1cn(CCC(F)(F)F)c2ccc(Cl)cc12
|
C17H13ClF3N3O2 383.757000 |
WAMJDGIWWXXCGE-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277762; PubChem:CID90216398
|
Local ready
Direct docking supported
|
|
E3L012711
BDB012711
|
US10040779, Example 60
O=C(O)c1ccncc1Nc1nn([C@H]2CCNC2)c2ccc(F)cc12
|
C17H16FN5O2 341.346000 |
NVOWKWGHEKGZRF-NSHDSACASA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277763; PubChem:CID90216573
|
Local ready
Direct docking supported
|
|
E3L012712
BDB012712
|
US10040779, Example 61
O=C(O)c1ccncc1Nc1nn([C@@H]2CCNC2)c2ccc(F)cc12
|
C17H16FN5O2 341.346000 |
NVOWKWGHEKGZRF-LLVKDONJSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277764; PubChem:CID90216766
|
Local ready
Direct docking supported
|
|
E3L012713
BDB012713
|
US10040779, Example 62
O=C(O)c1ccncc1Nc1nn(C2CCOCC2)c2ccc(F)cc12
|
C18H17FN4O3 356.357000 |
YFWMMWXAAXINTP-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277765; PubChem:CID90216548
|
Local ready
Direct docking supported
|
|
E3L012714
BDB012714
|
US10040779, Example 63
O=C(O)c1ccncc1Nc1nn(C2CCCOC2)c2ccc(F)cc12
|
C18H17FN4O3 356.357000 |
RMBFTWHBPWJTQR-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277766; PubChem:CID90217144
|
Local ready
Direct docking supported
|
|
E3L012715
BDB012715
|
US10040779, Example 64
O=C(O)c1ccncc1Nc1nn(C2CCC(F)(F)CC2)c2ccc(F)cc12
|
C19H17F3N4O2 390.365000 |
NGZUHYKCIFSOED-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277767; PubChem:CID90216307
|
Local ready
Direct docking supported
|
|
E3L012716
BDB012716
|
US10040779, Example 65
O=C(O)c1ccncc1Nc1nn(C2CCOC2)c2c1CCCC2
|
C17H20N4O3 328.372000 |
JZTNSFWOTHOOMW-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277768; PubChem:CID90216726
|
Local ready
Direct docking supported
|
|
E3L012717
BDB012717
|
US10040779, Example 66
O=C(O)c1ccncc1Nc1nn([C@H]2CCOC2)c2ccc(F)cc12
|
C17H15FN4O3 342.330000 |
CLACBXJUUICJKS-NSHDSACASA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277769; PubChem:CID90216464
|
Local ready
Direct docking supported
|
|
E3L012718
BDB012718
|
US10040779, Example 67
O=C(O)c1ccncc1Nc1nn([C@@H]2CCOC2)c2ccc(F)cc12
|
C17H15FN4O3 342.330000 |
CLACBXJUUICJKS-LLVKDONJSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277770; PubChem:CID90216723
|
Local ready
Direct docking supported
|
|
E3L012719
BDB012719
|
US10040779, Example 68
O=C(O)c1ccncc1Nc1cn(C2CCOC2)c2ccc(F)cc12
|
C18H16FN3O3 341.342000 |
HLHPSEPZDHRQDS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277771; PubChem:CID90216461
|
Local ready
Direct docking supported
|
|
E3L012720
BDB012720
|
US10040779, Example 69
O=C(O)c1ccncc1Nc1nn(C2CCOC2)c2ccc(Cl)cc12
|
C17H15ClN4O3 358.785000 |
BXDPZMNOFXDPHK-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM277772; PubChem:CID90216506
|
Local ready
Direct docking supported
|