| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L014221
BDB014221
|
US10174026, Example 22
Cc1cccc(C(O)c2cc3nccc(C(=O)O)c3[nH]2)c1
|
C16H14N2O3 282.299000 |
DNMHSZMGJQXBPR-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320379; PubChem:CID86281150
|
Local ready
Direct docking supported
|
|
E3L014222
BDB014222
|
US10174026, Example 24
COc1cccc(C(O)c2cc3nccc(C(=O)O)c3[nH]2)c1
|
C16H14N2O4 298.298000 |
IDAVRDSVKYWQFM-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320380; PubChem:CID86281151
|
Local ready
Direct docking supported
|
|
E3L014223
BDB014223
|
US10174026, Example 21
COC(=O)c1ccnc2cc(C(O)c3cccc(C)c3)[nH]c12
|
C17H16N2O3 296.326000 |
RGIRJNMMQWMPSS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320381; PubChem:CID86281152
|
Local ready
Direct docking supported
|
|
E3L014224
BDB014224
|
US10174026, Example 9
COC(=O)c1ccnc2cc(CO)[nH]c12
|
C10H10N2O3 206.201000 |
LSCAEDVJQCRXLG-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320382; PubChem:CID117631392
|
Local ready
Direct docking supported
|
|
E3L014225
BDB014225
|
US10174026, Example 25
CCC(O)c1cc2nccc(C(=O)OC)c2[nH]1
|
C12H14N2O3 234.255000 |
CBHYEKXZUJKIFP-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320383; PubChem:CID117632499
|
Local ready
Direct docking supported
|
|
E3L014226
BDB014226
|
US10174026, Example 27
O=C(O)c1ccnc2cc(C3(O)CCCC3)[nH]c12
|
C13H14N2O3 246.266000 |
GAVWFVROXVJBIK-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320384; PubChem:CID117632446
|
Local ready
Direct docking supported
|
|
E3L014227
BDB014227
|
BDBM320385
O=C(O)c1ccnc2cc(C3CCCC3)[nH]c12
|
C13H14N2O2 230.267000 |
MJGNHAKBDPMKTA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320385; PubChem:CID117631780
|
Local ready
Direct docking supported
|
|
E3L014228
BDB014228
|
US10174026, Example 28
COC(=O)c1ccnc2cc(C3CCCC3)[nH]c12
|
C14H16N2O2 244.294000 |
SYNPSAXKCPKNNT-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320386; PubChem:CID117631275
|
Local ready
Direct docking supported
|
|
E3L014229
BDB014229
|
US10174026, Example 26
CCC(O)c1cc2nccc(C(=O)O)c2[nH]1
|
C11H12N2O3 220.228000 |
HXAZLYSEIQKJQE-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320387; PubChem:CID117631323
|
Local ready
Direct docking supported
|
|
E3L014230
BDB014230
|
US10174026, Example 30
CC(C)C(O)c1cc2nccc(C(=O)O)c2[nH]1
|
C12H14N2O3 234.255000 |
LMJWZFHCCAQRPW-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320388; PubChem:CID117637313
|
Local ready
Direct docking supported
|
|
E3L014231
BDB014231
|
US10174026, Example 33
O=C(O)c1ccnc2cc(C(O)C3CC3)[nH]c12
|
C12H12N2O3 232.239000 |
YXMPZMPYIOJEEH-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320389; PubChem:CID117632324
|
Local ready
Direct docking supported
|
|
E3L014232
BDB014232
|
US10174026, Example 34
COc1cccc(Cc2cc3nccc(C(=O)O)c3[nH]2)c1
|
C16H14N2O3 282.299000 |
ZKGHEBCTAUNSED-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320390; PubChem:CID117632451
|
Local ready
Direct docking supported
|
|
E3L014233
BDB014233
|
US10174026, Example 36
Cc1cccc(Cc2cc3nccc(C(=O)O)c3[nH]2)c1
|
C16H14N2O2 266.300000 |
LDYFVKFNWKPAIZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320391; PubChem:CID117631794
|
Local ready
Direct docking supported
|
|
E3L014234
BDB014234
|
US10174026, Example 38
O=C(O)c1ccnc2cc(C(O)CC3CC3)[nH]c12
|
C13H14N2O3 246.266000 |
SVTALYNTRBNTBC-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320392; PubChem:CID117632298
|
Local ready
Direct docking supported
|
|
E3L014235
BDB014235
|
BDBM320393
O=C(O)c1ccnc2cc(COc3ccccc3)[nH]c12
|
C15H12N2O3 268.272000 |
FFZURRPWJDSXFU-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320393; PubChem:CID117637370
|
Local ready
Direct docking supported
|
|
E3L014236
BDB014236
|
BDBM320394
COCc1cc2nccc(C(=O)O)c2[nH]1
|
C10H10N2O3 206.201000 |
QBJBXNHYPDLIAQ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320394; PubChem:CID117631315
|
Local ready
Direct docking supported
|
|
E3L014237
BDB014237
|
US10174026, Example 43
O=C(O)c1ccnc2cc(C(O)C3CCOCC3)[nH]c12
|
C14H16N2O4 276.292000 |
OMVZFTXWQQJIHI-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320395; PubChem:CID117631448
|
Local ready
Direct docking supported
|
|
E3L014238
BDB014238
|
US10174026, Example 44
O=C(O)c1ccnc2cc(Cc3ccc(Cl)cc3)[nH]c12
|
C15H11ClN2O2 286.718000 |
CDICNYOMNQIPOG-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320396; PubChem:CID117630922
|
Local ready
Direct docking supported
|
|
E3L014239
BDB014239
|
US10174026, Example 46
CC(O)(c1ccccc1)c1cc2nccc(C(=O)O)c2[nH]1
|
C16H14N2O3 282.299000 |
UYKGPJOTPPQTPS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320397; PubChem:CID117631820
|
Local ready
Direct docking supported
|
|
E3L014240
BDB014240
|
US10174026, Example 48
Cn1nccc1C(O)c1cc2nccc(C(=O)O)c2[nH]1
|
C13H12N4O3 272.264000 |
GKUPKODNWZNZJU-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320398; PubChem:CID117631900
|
Local ready
Direct docking supported
|