| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012281
BDB012281
|
2-(5-p-tolyl-1H-pyrazol-1-yl)isonicotinic acid
Cc1ccc(-c2ccnn2-c2cc(C(=O)O)ccn2)cc1
|
C16H13N3O2 279.299000 |
LKBZHRSAENXIOI-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263942; PubChem:CID76901247
|
Local ready
Direct docking supported
|
|
E3L012282
BDB012282
|
2-(5-m-tolyl-1H-pyrazol-1-yl)isonicotinic acid
Cc1cccc(-c2ccnn2-c2cc(C(=O)O)ccn2)c1
|
C16H13N3O2 279.299000 |
QBLUFCRSMWHQNN-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263943; PubChem:CID76901426
|
Local ready
Direct docking supported
|
|
E3L012283
BDB012283
|
BDBM263944
O=C(O)c1ccnc(-n2nccc2-c2ccc(F)cc2F)c1
|
C15H9F2N3O2 301.252000 |
WTMJZFIQFSYVHA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263944; PubChem:CID76901615
|
Local ready
Direct docking supported
|
|
E3L012284
BDB012284
|
BDBM263945
O=C(O)c1ccnc(-n2nccc2-c2ccc(F)c(F)c2)c1
|
C15H9F2N3O2 301.252000 |
HMFDIJHBCQAEDL-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263945; PubChem:CID90205111
|
Local ready
Direct docking supported
|
|
E3L012285
BDB012285
|
2-(5-(3-fluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
O=C(O)c1ccnc(-n2nccc2-c2cccc(F)c2)c1
|
C15H10FN3O2 283.262000 |
QKDWURZWFKZKLH-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263946; PubChem:CID76901616
|
Local ready
Direct docking supported
|
|
E3L012286
BDB012286
|
BDBM263949
O=C(O)c1ccnc(-n2nccc2-c2cccc(O)c2)c1
|
C15H11N3O3 281.271000 |
QVSDPEWGBYKEDU-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263949; PubChem:CID76901620
|
Local ready
Direct docking supported
|
|
E3L012287
BDB012287
|
BDBM263950
O=C(O)c1ccnc(-n2nccc2-c2ccc(O)cc2)c1
|
C15H11N3O3 281.271000 |
YCGATGBJHALDLT-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263950; PubChem:CID136258480
|
Local ready
Direct docking supported
|
|
E3L012288
BDB012288
|
BDBM263951
CS(=O)(=O)c1ccc(-c2ccnn2-c2cc(C(=O)O)ccn2)cc1
|
C16H13N3O4S 343.364000 |
HONRHPVMYYIRBL-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263951; PubChem:CID76901618
|
Local ready
Direct docking supported
|
|
E3L012289
BDB012289
|
BDBM263952
COc1cc(-c2ccnn2-c2cc(C(=O)O)ccn2)ccc1C
|
C17H15N3O3 309.325000 |
DQZXWCVKIBSQAJ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263952; PubChem:CID76901619
|
Local ready
Direct docking supported
|
|
E3L012290
BDB012290
|
BDBM263953
Cc1ccc(-c2ccnn2-c2cc(C(=O)O)ccn2)cc1O
|
C16H13N3O3 295.298000 |
FJCLAYNTNLSCOL-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263953; PubChem:CID76901248
|
Local ready
Direct docking supported
|
|
E3L012291
BDB012291
|
BDBM263954
COc1cc(-c2ccnn2-c2cc(C(=O)O)ccn2)ccc1Cl
|
C16H12ClN3O3 329.743000 |
BEOSCPUYUHDKBT-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263954; PubChem:CID90205356
|
Local ready
Direct docking supported
|
|
E3L012292
BDB012292
|
BDBM263958
O=C(O)c1ccnc(-n2nccc2-c2ccc(Cl)c(O)c2)c1
|
C15H10ClN3O3 315.716000 |
KLXSSSNBZFSVGC-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263958; PubChem:CID90204642
|
Local ready
Direct docking supported
|
|
E3L012293
BDB012293
|
BDBM263960
O=C(O)c1ccnc(-n2nccc2-c2ccc3cn[nH]c3c2)c1
|
C16H11N5O2 305.297000 |
LMWRRFGBEDJAGG-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263960; PubChem:CID90204951
|
Local ready
Direct docking supported
|
|
E3L012294
BDB012294
|
2-(5-phenyl-1H-pyrazol-1-yl)isonicotinic acid
O=C(O)c1ccnc(-n2nccc2-c2ccccc2)c1
|
C15H11N3O2 265.272000 |
WGDUIIXPWPBNOF-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263961; PubChem:CID86725498
|
Local ready
Direct docking supported
|
|
E3L012295
BDB012295
|
2-(5-(4-fluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
O=C(O)c1ccnc(-n2nccc2-c2ccc(F)cc2)c1
|
C15H10FN3O2 283.262000 |
MYIZAYXMTDPUHW-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263962; PubChem:CID90205512
|
Local ready
Direct docking supported
|
|
E3L012296
BDB012296
|
BDBM263963
CS(=O)(=O)c1ccc(-c2ccnn2-c2cc(C(=O)O)ccn2)cc1O
|
C16H13N3O5S 359.363000 |
GLMOOUIHDMOTSN-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263963; PubChem:CID90205576
|
Local ready
Direct docking supported
|
|
E3L012297
BDB012297
|
2-(3-methyl-5-p-tolyl-1H-pyrazol-1-yl)isonicotinic acid
Cc1ccc(-c2cc(C)nn2-c2cc(C(=O)O)ccn2)cc1
|
C17H15N3O2 293.326000 |
MKZLVNIZKIFRHO-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263964; PubChem:CID90205021
|
Local ready
Direct docking supported
|
|
E3L012298
BDB012298
|
2-(3-ethyl-5-p-tolyl-1H-pyrazol-1-yl)isonicotinic acid
CCc1cc(-c2ccc(C)cc2)n(-c2cc(C(=O)O)ccn2)n1
|
C18H17N3O2 307.353000 |
XFBUWKQDOAULCT-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263965; PubChem:CID90205730
|
Local ready
Direct docking supported
|
|
E3L012299
BDB012299
|
2-(5-methyl-1H-pyrazol-1-yl)isonicotinic acid
Cc1ccnn1-c1cc(C(=O)O)ccn1
|
C10H9N3O2 203.201000 |
DBNRSQHWQKIXGR-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263966; PubChem:CID84777128
|
Local ready
Direct docking supported
|
|
E3L012300
BDB012300
|
2-(5-benzyl-1H-pyrazol-1-yl)isonicotinic acid
O=C(O)c1ccnc(-n2nccc2Cc2ccccc2)c1
|
C16H13N3O2 279.299000 |
SAXXFJQUHSPIPP-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM263967; PubChem:CID90205720
|
Local ready
Direct docking supported
|