| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L014261
BDB014261
|
US10174026, Example 83
O=C(O)c1ccnc2cc(COc3cc(Cl)cc(Cl)c3)[nH]c12
|
C15H10Cl2N2O3 337.162000 |
VAQUXGHKFQHOIJ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320419; PubChem:CID117631476
|
Local ready
Direct docking supported
|
|
E3L014262
BDB014262
|
US10174026, Example 84
CC(Oc1ccccc1)c1cc2nccc(C(=O)O)c2[nH]1
|
C16H14N2O3 282.299000 |
VFNSKTHFPJWUKV-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320420; PubChem:CID117631206
|
Local ready
Direct docking supported
|
|
E3L014263
BDB014263
|
US10174026, Example 85
CCCC(Oc1ccccc1)c1cc2nccc(C(=O)O)c2[nH]1
|
C18H18N2O3 310.353000 |
CMJCOOWEPRCMQB-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320421; PubChem:CID117632075
|
Local ready
Direct docking supported
|
|
E3L014264
BDB014264
|
US10174026, Example 86
CC(C)CC(Oc1ccccc1)c1cc2nccc(C(=O)O)c2[nH]1
|
C19H20N2O3 324.380000 |
QFWIUYKPWXTXGH-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320422; PubChem:CID117631159
|
Local ready
Direct docking supported
|
|
E3L014265
BDB014265
|
US10174026, Example 88
CCCOC(c1cc2nccc(C(=O)O)c2[nH]1)c1ccccc1Cl
|
C18H17ClN2O3 344.798000 |
NXCXDWJNFKFGCO-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320423; PubChem:CID117637389
|
Local ready
Direct docking supported
|
|
E3L014266
BDB014266
|
US10174026, Example 90
O=C(O)c1ccnc2cc(Cc3ccc(Cl)cc3Cl)[nH]c12
|
C15H10Cl2N2O2 321.163000 |
UMSIJZSWYVUWSD-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320424; PubChem:CID117632450
|
Local ready
Direct docking supported
|
|
E3L014267
BDB014267
|
US10174026, Example 92
O=C(O)c1ccnc2cc(-c3cc4ccccc4o3)[nH]c12
|
C16H10N2O3 278.267000 |
REFIQVNXDXIMLX-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320425; PubChem:CID117637319
|
Local ready
Direct docking supported
|
|
E3L014268
BDB014268
|
US10174026, Example 93
COc1ccc(OCc2cc3nccc(C(=O)O)c3[nH]2)cc1
|
C16H14N2O4 298.298000 |
SIFAONGGESBNMT-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320426; PubChem:CID117630951
|
Local ready
Direct docking supported
|
|
E3L014269
BDB014269
|
US10174026, Example 94
O=C(O)c1ccnc2cc(COc3ccccc3Cl)[nH]c12
|
C15H11ClN2O3 302.717000 |
LFQKFAJAKGJKJE-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320427; PubChem:CID117631798
|
Local ready
Direct docking supported
|
|
E3L014270
BDB014270
|
US10174026, Example 95
O=C(O)c1ccnc2cc(COc3ccccc3F)[nH]c12
|
C15H11FN2O3 286.262000 |
RCFPZNIWZQNDJL-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320428; PubChem:CID117631400
|
Local ready
Direct docking supported
|
|
E3L014271
BDB014271
|
US10174026, Example 96
O=C(O)c1ccnc2cc(COc3ccc(F)cc3Cl)[nH]c12
|
C15H10ClFN2O3 320.707000 |
MFLOFHSWXDASGC-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320429; PubChem:CID117631089
|
Local ready
Direct docking supported
|
|
E3L014272
BDB014272
|
US10174026, Example 97
CC(=O)Nc1ccc(OCc2cc3nccc(C(=O)O)c3[nH]2)cc1
|
C17H15N3O4 325.324000 |
LQNSEJCSWWGGGC-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320430; PubChem:CID117637287
|
Local ready
Direct docking supported
|
|
E3L014273
BDB014273
|
US10174026, Example 98
N#Cc1ccc(OCc2cc3nccc(C(=O)O)c3[nH]2)cc1
|
C16H11N3O3 293.282000 |
SCQFBNIZYBCTRH-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320431; PubChem:CID121452803
|
Local ready
Direct docking supported
|
|
E3L014274
BDB014274
|
US10174026, Example 99
O=C(O)c1ccnc2cc(C(=O)N3CCCC3)[nH]c12
|
C13H13N3O3 259.265000 |
YVSBFLGSNJSZJQ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320432; PubChem:CID85469291
|
Local ready
Direct docking supported
|
|
E3L014275
BDB014275
|
BDBM320433
O=C(O)c1ccnc2cc(Cc3ccc(F)cc3)[nH]c12
|
C15H11FN2O2 270.263000 |
CEIHDMRTHCSEQL-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320433; PubChem:CID117632116
|
Local ready
Direct docking supported
|
|
E3L014276
BDB014276
|
US10174026, Example 103
CC(O)(c1ccc(F)cc1)c1cc2nccc(C(=O)O)c2[nH]1
|
C16H13FN2O3 300.289000 |
WXTYMIIYUZEZMF-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320434; PubChem:CID117637288
|
Local ready
Direct docking supported
|
|
E3L014277
BDB014277
|
US10174026, Example 105
O=C(O)c1ccnc2cc(C(=O)N3CCCc4ccccc43)[nH]c12
|
C18H15N3O3 321.336000 |
XPBKVYOBTSXQJV-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320435; PubChem:CID117631639
|
Local ready
Direct docking supported
|
|
E3L014278
BDB014278
|
BDBM320436
O=C(O)c1ccnc2cc(C(=O)N3CCc4ccccc43)[nH]c12
|
C17H13N3O3 307.309000 |
HYYJZVSCEWUATR-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320436; PubChem:CID117632123
|
Local ready
Direct docking supported
|
|
E3L014279
BDB014279
|
BDBM320437
O=C(O)c1ccnc2cc(C(=O)N3CCCCC3)[nH]c12
|
C14H15N3O3 273.292000 |
NUHPPDIXDWJTCM-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320437; PubChem:CID117630732
|
Local ready
Direct docking supported
|
|
E3L014280
BDB014280
|
US10174026, Example 110
CC(c1ccc(F)cc1)c1cc2nccc(C(=O)O)c2[nH]1
|
C16H13FN2O2 284.290000 |
CXAIXDFFEAKNFB-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320438; PubChem:CID117637383
|
Local ready
Direct docking supported
|