| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L014241
BDB014241
|
BDBM320399
O=C(O)c1ccnc2cc(CC3CCCC3)[nH]c12
|
C14H16N2O2 244.294000 |
OZJOKUHQQZYMME-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320399; PubChem:CID117631630
|
Local ready
Direct docking supported
|
|
E3L014242
BDB014242
|
BDBM320400
O=C(O)c1ccnc2cc(CC3CCCCC3)[nH]c12
|
C15H18N2O2 258.321000 |
LPFWATLXDCIHNH-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320400; PubChem:CID117631303
|
Local ready
Direct docking supported
|
|
E3L014243
BDB014243
|
US10174026, Example 50
Cn1ccc(C(O)c2cc3nccc(C(=O)O)c3[nH]2)n1
|
C13H12N4O3 272.264000 |
AAGGCERIGSPVNO-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320401; PubChem:CID117637381
|
Local ready
Direct docking supported
|
|
E3L014244
BDB014244
|
US10174026, Example 56
O=C(O)c1ccnc2cc(Cc3ccc(C(F)(F)F)cc3)[nH]c12
|
C16H11F3N2O2 320.270000 |
DTJUHOKYRUAGQQ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320402; PubChem:CID117631312
|
Local ready
Direct docking supported
|
|
E3L014245
BDB014245
|
US10174026, Example 58
N#CCCc1cc2nccc(C(=O)O)c2[nH]1
|
C11H9N3O2 215.212000 |
QGWDKDJPSMMAIM-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320403; PubChem:CID117632315
|
Local ready
Direct docking supported
|
|
E3L014246
BDB014246
|
US10174026, Example 59
COc1ccc(Cc2cc3nccc(C(=O)O)c3[nH]2)cc1
|
C16H14N2O3 282.299000 |
OAVHESBEECDWSL-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320404; PubChem:CID117631203
|
Local ready
Direct docking supported
|
|
E3L014247
BDB014247
|
US10174026, Example 60
O=C(O)c1ccnc2cc(COc3ccc(F)cc3)[nH]c12
|
C15H11FN2O3 286.262000 |
ZAUFEEIAIADGLQ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320405; PubChem:CID117632485
|
Local ready
Direct docking supported
|
|
E3L014248
BDB014248
|
US10174026, Example 62
Cc1ccc(OCc2cc3nccc(C(=O)O)c3[nH]2)cc1
|
C16H14N2O3 282.299000 |
PPJJPXKKNDUAAE-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320406; PubChem:CID117632281
|
Local ready
Direct docking supported
|
|
E3L014249
BDB014249
|
US10174026, Example 64
O=C(O)c1ccnc2cc(COc3ccc(Cl)cc3)[nH]c12
|
C15H11ClN2O3 302.717000 |
PTTDMGLUDKSVEN-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320407; PubChem:CID117632058
|
Local ready
Direct docking supported
|
|
E3L014250
BDB014250
|
US10174026, Example 66
Cc1ccccc1OCc1cc2nccc(C(=O)O)c2[nH]1
|
C16H14N2O3 282.299000 |
FXZNEOBRMXFMKH-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320408; PubChem:CID117632272
|
Local ready
Direct docking supported
|
|
E3L014251
BDB014251
|
US10174026, Example 68
O=C(O)c1ccnc2cc(COc3ccc(C(F)(F)F)cc3)[nH]c12
|
C16H11F3N2O3 336.269000 |
QPTYWJNUDAZOKY-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320409; PubChem:CID117637384
|
Local ready
Direct docking supported
|
|
E3L014252
BDB014252
|
US10174026, Example 70
O=C(O)c1ccnc2cc(CCc3ccccc3)[nH]c12
|
C16H14N2O2 266.300000 |
FODSHMOMERZNFO-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320410; PubChem:CID117637334
|
Local ready
Direct docking supported
|
|
E3L014253
BDB014253
|
US10174026, Example 72
O=C(O)c1ccnc2cc(C(O)c3ccccc3Cl)[nH]c12
|
C15H11ClN2O3 302.717000 |
FQQMDXGYBOTZSV-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320411; PubChem:CID117630845
|
Local ready
Direct docking supported
|
|
E3L014254
BDB014254
|
US10174026, Example 74
Cc1cccc(OCc2cc3nccc(C(=O)O)c3[nH]2)c1
|
C16H14N2O3 282.299000 |
SKIADERQBBOJPL-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320412; PubChem:CID117632066
|
Local ready
Direct docking supported
|
|
E3L014255
BDB014255
|
US10174026, Example 76
O=C(O)c1ccnc2cc(COc3ccc4c(c3)CCO4)[nH]c12
|
C17H14N2O4 310.309000 |
KUACYTWQTKCWOZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320413; PubChem:CID117632544
|
Local ready
Direct docking supported
|
|
E3L014256
BDB014256
|
US10174026, Example 78
O=C(O)c1ccnc2cc(Cc3ccccc3Cl)[nH]c12
|
C15H11ClN2O2 286.718000 |
FLSRYTNCCBDWES-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320414; PubChem:CID117632414
|
Local ready
Direct docking supported
|
|
E3L014257
BDB014257
|
US10174026, Example 79
O=C(O)c1ccnc2cc(COc3cccc(F)c3)[nH]c12
|
C15H11FN2O3 286.262000 |
WZZRQMPNRQJLQW-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320415; PubChem:CID117631247
|
Local ready
Direct docking supported
|
|
E3L014258
BDB014258
|
US10174026, Example 80
O=C(O)c1ccnc2cc(COc3cccc(Cl)c3)[nH]c12
|
C15H11ClN2O3 302.717000 |
IXZWQTRFEAPZHZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320416; PubChem:CID117631464
|
Local ready
Direct docking supported
|
|
E3L014259
BDB014259
|
US10174026, Example 81
O=C(O)c1ccnc2cc(COc3cc(F)cc(F)c3)[nH]c12
|
C15H10F2N2O3 304.252000 |
MIUMGHXOBSQBOU-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320417; PubChem:CID117632059
|
Local ready
Direct docking supported
|
|
E3L014260
BDB014260
|
US10174026, Example 82
Cc1cc(C)cc(OCc2cc3nccc(C(=O)O)c3[nH]2)c1
|
C17H16N2O3 296.326000 |
OEPKFVTWEHMPDT-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320418; PubChem:CID117631150
|
Local ready
Direct docking supported
|