| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L014281
BDB014281
|
US10174026, Example 112
O=C(O)c1ccnc2cc(Cc3ccc(F)c(Cl)c3)[nH]c12
|
C15H10ClFN2O2 304.708000 |
LDDPUYOSFHDTHG-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320439; PubChem:CID117637289
|
Local ready
Direct docking supported
|
|
E3L014282
BDB014282
|
US10174026, Example 114
O=C(O)c1ccnc2cc(Cc3ccc(Cl)c(F)c3)[nH]c12
|
C15H10ClFN2O2 304.708000 |
OGFIYEBDTTVLMJ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320440; PubChem:CID117637337
|
Local ready
Direct docking supported
|
|
E3L014283
BDB014283
|
US10174026, Example 116
O=C(O)c1ccnc2cc(C(=O)N3CCC(c4ccccc4)C3)[nH]c12
|
C19H17N3O3 335.363000 |
ATFLOGYNEKTCMN-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320441; PubChem:CID117631163
|
Local ready
Direct docking supported
|
|
E3L014284
BDB014284
|
US10174026, Example 118
CC1(C)CCN(C(=O)c2cc3nccc(C(=O)O)c3[nH]2)CC1
|
C16H19N3O3 301.346000 |
YYVQUZIWKZVUOA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320442; PubChem:CID117637380
|
Local ready
Direct docking supported
|
|
E3L014285
BDB014285
|
US10174026, Example 120
O=C(O)c1ccnc2cc(C(=O)N3CCCC(c4ccccc4)C3)[nH]c12
|
C20H19N3O3 349.390000 |
XYHXZRBZNBOLAJ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320443; PubChem:CID117632564
|
Local ready
Direct docking supported
|
|
E3L014286
BDB014286
|
US10174026, Example 122
O=C(O)c1ccnc2cc(C(=O)N3CCc4ccccc4C3)[nH]c12
|
C18H15N3O3 321.336000 |
MFSKWXZHBDCKMJ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320444; PubChem:CID117631649
|
Local ready
Direct docking supported
|
|
E3L014287
BDB014287
|
US10174026, Example 124
CC1(C)CCCN1C(=O)c1cc2nccc(C(=O)O)c2[nH]1
|
C15H17N3O3 287.319000 |
LJSLTRVLEYBZQF-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320445; PubChem:CID117630872
|
Local ready
Direct docking supported
|
|
E3L014288
BDB014288
|
US10174026, Example 126
O=C(O)c1ccnc2cc(Cc3ccc(F)c(F)c3)[nH]c12
|
C15H10F2N2O2 288.253000 |
GJWWRHMMSBHKOT-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320446; PubChem:CID117637338
|
Local ready
Direct docking supported
|
|
E3L014289
BDB014289
|
US10174026, Example 128
COc1cc(Cc2cc3nccc(C(=O)O)c3[nH]2)ccc1Cl
|
C16H13ClN2O3 316.744000 |
UZSUVCSIXHHZRS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320447; PubChem:CID117637323
|
Local ready
Direct docking supported
|
|
E3L014290
BDB014290
|
US10174026, Example 130
O=C(O)c1ccnc2cc(Cc3ccc(Cl)c(Cl)c3)[nH]c12
|
C15H10Cl2N2O2 321.163000 |
LFJWUUZJNAGQQA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320448; PubChem:CID117637324
|
Local ready
Direct docking supported
|
|
E3L014291
BDB014291
|
US10174026, Example 132
O=C(O)c1ccnc2cc(Cc3cc(F)c(Cl)c(Cl)c3)[nH]c12
|
C15H9Cl2FN2O2 339.153000 |
GMVQFVAPKMAASG-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320449; PubChem:CID117637341
|
Local ready
Direct docking supported
|
|
E3L014292
BDB014292
|
US10174026, Example 134
Cc1cc(Cc2cc3nccc(C(=O)O)c3[nH]2)ccc1Cl
|
C16H13ClN2O2 300.745000 |
DYRCVDOEKTXODY-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320450; PubChem:CID117637339
|
Local ready
Direct docking supported
|
|
E3L014293
BDB014293
|
US10174026, Example 136
O=C(O)c1ccnc2cc(Cc3ccc(Cl)c(C(F)(F)F)c3)[nH]c12
|
C16H10ClF3N2O2 354.715000 |
RIUMSYKSPZIIJN-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320451; PubChem:CID117637340
|
Local ready
Direct docking supported
|
|
E3L014294
BDB014294
|
US10174026, Example 138
O=C(O)c1ccnc2cc(Cc3ccc(Cl)c(OCC4CC4)c3)[nH]c12
|
C19H17ClN2O3 356.809000 |
NRZCHJIOIJTLJT-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320452; PubChem:CID117637322
|
Local ready
Direct docking supported
|
|
E3L014295
BDB014295
|
US10174026, Example 142
O=C(O)c1ccnc2cc(Cc3ccc(Cl)c(OC(F)(F)F)c3)[nH]c12
|
C16H10ClF3N2O3 370.714000 |
ABANEZXFVFHRMY-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM320453; PubChem:CID117637385
|
Local ready
Direct docking supported
|
|
E3L014296
BDB014296
|
US10179769, Example 48
O=C(O)c1ccncc1NC[C@@H]1CCCc2ccccc21
|
C17H18N2O2 282.343000 |
DGPKTIKFLWFZTL-ZDUSSCGKSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM321334; PubChem:CID77107121
|
Local ready
Direct docking supported
|
|
E3L014297
BDB014297
|
BDBM321424
C/C=C/Cn1cc(-c2cc(OC)c(C(=O)N3CCOCC3)cc2OC)c2cc(C)[nH]c2c1=O
|
C25H29N3O5 451.523000 |
FWTDDBIMDSVPTR-AATRIKPKSA-N | O15164, Q09472, Q12830, Q92793, Q92831 | Nucleosome-remodeling factor subunit BPTF, Histone acetyltransferase p300, CREB-binding protein, Histone acetyltransferase KAT2B, Transcription intermediary factor 1-alpha |
BindingDB
BindingDB:BDBM321424
|
Local ready
Direct docking supported
|
|
E3L014298
BDB014298
|
BDBM321437
C/C=C/Cn1cc(-c2cc(OC)c(C(C)(C)O)cc2OC)c2cc(C)[nH]c2c1=O
|
C23H28N2O4 396.487000 |
QVMOJFHRHLLSOT-BQYQJAHWSA-N | O15164, Q09472, Q12830, Q92793, Q92831 | Histone acetyltransferase p300, CREB-binding protein, Nucleosome-remodeling factor subunit BPTF, Transcription intermediary factor 1-alpha, Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM321437; PubChem:CID121335274
|
Local ready
Direct docking supported
|
|
E3L014299
BDB014299
|
BDBM321443
C=CCn1cc(-c2cccc(C(=O)N(C)C)c2)c2cc[nH]c2c1=O
|
C19H19N3O2 321.380000 |
SPSRAFOXVSNAJA-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM321443; PubChem:CID121335281
|
Local ready
Direct docking supported
|
|
E3L014300
BDB014300
|
BDBM321448
C=CCCn1cc(-c2cccc(C(=O)N(C)C)c2)c2cc[nH]c2c1=O
|
C20H21N3O2 335.407000 |
VNCNIMOILJQAGJ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM321448; PubChem:CID119081691
|
Local ready
Direct docking supported
|