| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057121
BDB057121
|
Onametostat
Nc1nc2cc(CC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2cc1Br
|
C22H23BrN6O2 483.370000 |
DBSMLQTUDJVICQ-CJODITQLSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50462572; PubChem:CID126637809
|
Local ready
Direct docking supported
|
|
E3L057122
BDB057122
|
BDBM50462626
C=CCc1ccc(O)c(-c2cc(CC=C)cc(O)c2O)c1
|
C18H18O3 282.339000 |
LIGYYTGBJGANPH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50462626; PubChem:CID132489972
|
Local ready
Direct docking supported
|
|
E3L057123
BDB057123
|
BDBM50462709
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(-c2ccncc2)cs1
|
C23H27N5O2S 437.569000 |
XLMFBNMLEHYJGT-UHFFFAOYSA-N | O14965, P51617 | Interleukin-1 receptor-associated kinase 1, Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50462709; PubChem:CID60097495
|
Local ready
Direct docking supported
|
|
E3L057124
BDB057124
|
BDBM50462710
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(-c2ccncc2)cs1
|
C24H28N4O2S 436.581000 |
IMDMAPNWXDTADU-UHFFFAOYSA-N | O14965, P51617 | Aurora kinase A, Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50462710; PubChem:CID60097413
|
Local ready
Direct docking supported
|
|
E3L057125
BDB057125
|
BDBM50462904
COC(=O)[C@@H](NC(=O)OCc1ccccc1)c1cccc(NC(=O)CCl)c1
|
C19H19ClN2O5 390.823000 |
RVQONYJGFBAAAA-KRWDZBQOSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50462904; PubChem:CID145983839
|
Local ready
Direct docking supported
|
|
E3L057126
BDB057126
|
BDBM50462905
CN(CCO)C(=O)[C@@H](NC(=O)OCc1ccccc1)c1cccc(NC(=O)CCl)c1
|
C21H24ClN3O5 433.892000 |
IWXXXGSWHFSSBI-IBGZPJMESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50462905; PubChem:CID145984355
|
Local ready
Direct docking supported
|
|
E3L057127
BDB057127
|
[4-(1H-Pyrrol-1-yl)phenyl]methanol
OCc1ccc(-n2cccc2)cc1
|
C11H11NO 173.215000 |
LQQQPLUFBVYLRE-UHFFFAOYSA-N | P40337, Q15369 | von Hippel-Lindau disease tumor suppressor, Elongin-C |
BindingDB, PubChem
BindingDB:BDBM50463158; PubChem:CID599478
|
Local ready
Direct docking supported
|
|
E3L057128
BDB057128
|
6-Chlorothiochroman-4-one
O=C1CCSc2ccc(Cl)cc21
|
C9H7ClOS 198.674000 |
OKHUUKHZUNKSQA-UHFFFAOYSA-N | P40337, Q15369 | Elongin-C, von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM50463159; PubChem:CID248065
|
Local ready
Direct docking supported
|
|
E3L057129
BDB057129
|
BDBM50463259
Cc1cc(SC(Cc2c(F)cccc2Cl)c2ccc(-c3ccc(F)cc3)cc2)ccc1OCC(=O)O
|
C29H23ClF2O3S 525.016000 |
HBUJMSHBDZCHDN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50463259; PubChem:CID145983779
|
Local ready
Direct docking supported
|
|
E3L057130
BDB057130
|
BDBM50463260
Cc1cc(SC(Cc2ccccc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)ccc1OCC(=O)O
|
C30H25F3O3S 522.588000 |
NDMVMGJRCVLXQH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50463260; PubChem:CID24808475
|
Local ready
Direct docking supported
|
|
E3L057131
BDB057131
|
BDBM50463261
Cc1cc(SC(Cc2c(F)cccc2Cl)c2ccc(-c3ccccc3)cc2)ccc1OCC(=O)O
|
C29H24ClFO3S 507.026000 |
IRNMCTGQDLFIHH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50463261; PubChem:CID145985286
|
Local ready
Direct docking supported
|
|
E3L057132
BDB057132
|
BDBM50463262
Cc1cc(SC(Cc2c(F)cccc2F)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)ccc1OCC(=O)O
|
C30H23F5O3S 558.568000 |
RCDRDYPOCIKTST-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50463262; PubChem:CID145983637
|
Local ready
Direct docking supported
|
|
E3L057133
BDB057133
|
BDBM50463263
Cc1cc(SC(Cc2ccccc2)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)ccc1OCC(=O)O
|
C29H23F3O3S 508.561000 |
MVHNKPBNOYEEGE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50463263; PubChem:CID145982651
|
Local ready
Direct docking supported
|
|
E3L057134
BDB057134
|
BDBM50463264
Cc1cc(SC(Cc2c(F)cccc2Cl)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)ccc1OCC(=O)O
|
C30H23ClF4O3S 575.023000 |
VPAWTIPXLKDVCJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50463264; PubChem:CID145984084
|
Local ready
Direct docking supported
|
|
E3L057135
BDB057135
|
BDBM50463265
Cc1cc(SC(Cc2c(Cl)cccc2Cl)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)ccc1OCC(=O)O
|
C29H21Cl2F3O3S 577.451000 |
MLQBPOZXOZBGDK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50463265; PubChem:CID145982746
|
Local ready
Direct docking supported
|
|
E3L057136
BDB057136
|
BDBM50463266
Cc1cc(SC(Cc2ccccc2)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)ccc1OCC(=O)O
|
C30H25F3O3S 522.588000 |
ITRWCUYVEOVCOH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50463266; PubChem:CID145985994
|
Local ready
Direct docking supported
|
|
E3L057137
BDB057137
|
BDBM50463267
Cc1cc(SC(Cc2ccccc2)c2ccc(-c3ccc(F)cc3)cc2)ccc1OCC(=O)O
|
C29H25FO3S 472.581000 |
XWFOXJOKNROYGR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50463267; PubChem:CID145982771
|
Local ready
Direct docking supported
|
|
E3L057138
BDB057138
|
BDBM50463268
Cc1cc(SC(Cc2cc(F)c(F)c(F)c2)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)ccc1OCC(=O)O
|
C30H22F6O3S 576.558000 |
ZOWCCMQGTPLMKJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50463268; PubChem:CID145982798
|
Local ready
Direct docking supported
|
|
E3L057139
BDB057139
|
BDBM50463269
Cc1cc(SC(Cc2ccccc2)c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)ccc1OCC(=O)O
|
C29H24F3NO3S 523.576000 |
DBVMTZFAFVEYCF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50463269; PubChem:CID145984731
|
Local ready
Direct docking supported
|
|
E3L057140
BDB057140
|
BDBM50463270
Cc1cc(SC(Cc2c(F)cccc2Cl)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)ccc1OCC(=O)O
|
C29H21ClF4O3S 560.996000 |
RSPGOFUQPYECIK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50463270; PubChem:CID145985481
|
Local ready
Direct docking supported
|