| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012301
BDB012301
|
2-(3-benzyl-1H-pyrazol-1-yl)isonicotinic acid
O=C(O)c1ccnc(-n2ccc(Cc3ccccc3)n2)c1
|
C16H13N3O2 279.299000 |
UEFZTBOXYTUEQA-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM263968; PubChem:CID90205430
|
Local ready
Direct docking supported
|
|
E3L012302
BDB012302
|
2-(5-phenethyl-1H-pyrazol-1-yl)isonicotinic acid
O=C(O)c1ccnc(-n2nccc2CCc2ccccc2)c1
|
C17H15N3O2 293.326000 |
MVDDWOUDRGQZND-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263969; PubChem:CID90205336
|
Local ready
Direct docking supported
|
|
E3L012303
BDB012303
|
2-(3-phenethyl-1H-pyrazol-1-yl)isonicotinic acid
O=C(O)c1ccnc(-n2ccc(CCc3ccccc3)n2)c1
|
C17H15N3O2 293.326000 |
IKDUYJZLUXCOMP-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263970; PubChem:CID90211075
|
Local ready
Direct docking supported
|
|
E3L012304
BDB012304
|
2-(5-methyl-4-phenyl-1H-pyrazol-1-yl)isonicotinic acid
Cc1c(-c2ccccc2)cnn1-c1cc(C(=O)O)ccn1
|
C16H13N3O2 279.299000 |
DYVKRSMFVROHFY-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263971; PubChem:CID90204980
|
Local ready
Direct docking supported
|
|
E3L012305
BDB012305
|
2-(5-methoxy-3-methyl-1H-pyrazol-1-yl)isonicotinic acid
COc1cc(C)nn1-c1cc(C(=O)O)ccn1
|
C11H11N3O3 233.227000 |
PXPKNVPANSVBHA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263972; PubChem:CID90205611
|
Local ready
Direct docking supported
|
|
E3L012306
BDB012306
|
BDBM263973
Cc1cc(OCc2ccccc2)n(-c2cc(C(=O)O)ccn2)n1
|
C17H15N3O3 309.325000 |
OKWTXEOPPSGVKX-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263973; PubChem:CID90205295
|
Local ready
Direct docking supported
|
|
E3L012307
BDB012307
|
2-(5-(benzyloxy)-1H-pyrazol-1-yl)isonicotinic acid
O=C(O)c1ccnc(-n2nccc2OCc2ccccc2)c1
|
C16H13N3O3 295.298000 |
FPJJSKKWGRACAX-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263974; PubChem:CID86725535
|
Local ready
Direct docking supported
|
|
E3L012308
BDB012308
|
BDBM263975
O=C(O)c1ccnc(-n2nccc2OCc2ccc(F)cc2)c1
|
C16H12FN3O3 313.288000 |
NYJLXELRMWJXFN-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263975; PubChem:CID90205425
|
Local ready
Direct docking supported
|
|
E3L012309
BDB012309
|
BDBM263976
O=C(O)c1ccnc(-n2nccc2OCc2cccc(F)c2)c1
|
C16H12FN3O3 313.288000 |
RVWFSGMSJSTAIJ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263976; PubChem:CID90205376
|
Local ready
Direct docking supported
|
|
E3L012310
BDB012310
|
BDBM263977
COc1cccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c1
|
C17H15N3O4 325.324000 |
KPFPUUAZQKWLBM-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263977; PubChem:CID90205551
|
Local ready
Direct docking supported
|
|
E3L012311
BDB012311
|
BDBM263978
COc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1
|
C17H15N3O4 325.324000 |
SVCKUILRFZXYLH-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263978; PubChem:CID90204861
|
Local ready
Direct docking supported
|
|
E3L012312
BDB012312
|
2-(5-butyl-1H-pyrazol-1-yl)isonicotinic acid
CCCCc1ccnn1-c1cc(C(=O)O)ccn1
|
C13H15N3O2 245.282000 |
YHNFXISQPODBJA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263979; PubChem:CID90205218
|
Local ready
Direct docking supported
|
|
E3L012313
BDB012313
|
BDBM263981
O=C(O)c1ccnc(-n2nccc2-c2ccc(Br)cc2)c1
|
C15H10BrN3O2 344.168000 |
MITOFELVTHNBGA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263981; PubChem:CID86725517
|
Local ready
Direct docking supported
|
|
E3L012314
BDB012314
|
BDBM263982
CN(C)c1ccc(-c2ccnn2-c2cc(C(=O)O)ccn2)cc1
|
C17H16N4O2 308.341000 |
FRSFPMMQGXIOOY-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263982; PubChem:CID90204242
|
Local ready
Direct docking supported
|
|
E3L012315
BDB012315
|
BDBM263983
Cc1ccc(-c2cc(N)nn2-c2cc(C(=O)O)ccn2)cc1
|
C16H14N4O2 294.314000 |
RARDAFAMJQBDBC-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263983; PubChem:CID86725521
|
Local ready
Direct docking supported
|
|
E3L012316
BDB012316
|
BDBM263984
O=C(O)c1ccnc(-n2nccc2OCc2ccc3cn[nH]c3c2)c1
|
C17H13N5O3 335.323000 |
LLIMXLUTGJVMBY-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM263984; PubChem:CID90204976
|
Local ready
Direct docking supported
|
|
E3L012317
BDB012317
|
BDBM263985
Cn1ncc2ccc(COc3ccnn3-c3cc(C(=O)O)ccn3)cc21
|
C18H15N5O3 349.350000 |
ORNNBJNBTNAYBS-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263985; PubChem:CID90205490
|
Local ready
Direct docking supported
|
|
E3L012318
BDB012318
|
BDBM263986
Cn1cc2ccc(COc3ccnn3-c3cc(C(=O)O)ccn3)cc2n1
|
C18H15N5O3 349.350000 |
KPTQBEMJSNBGAL-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263986; PubChem:CID90276263
|
Local ready
Direct docking supported
|
|
E3L012319
BDB012319
|
BDBM263987
O=C(O)c1ccnc(-n2nccc2OCc2ccc(F)c(F)c2)c1
|
C16H11F2N3O3 331.278000 |
GMWKOCOYZWNSIJ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263987; PubChem:CID90205226
|
Local ready
Direct docking supported
|
|
E3L012320
BDB012320
|
BDBM263989
O=C(O)c1ccnc(-n2nccc2OCc2ccc(C(F)(F)F)cc2)c1
|
C17H12F3N3O3 363.295000 |
SPGCFZXNJYGZNU-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM263989; PubChem:CID90204812
|
Local ready
Direct docking supported
|