| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047001
BDB047001
|
BDBM50155328
CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
|
C25H22ClN3O4S3 560.122000 |
OFWQXRRKNTZPHY-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50155328; PubChem:CID127033834
|
Local ready
Direct docking supported
|
|
E3L047002
BDB047002
|
BDBM50155329
O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(Sc1nc2cc(Cl)ccc2s1)c1ccccc1
|
C21H14ClN3O5S3 520.013000 |
WDCWBKBCOONBOQ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50155329; PubChem:CID127034100
|
Local ready
Direct docking supported
|
|
E3L047003
BDB047003
|
BDBM50155330
CC(C)(Oc1ccc(Cl)cc1)C(=O)NS(=O)(=O)c1ccccc1
|
C16H16ClNO4S 353.827000 |
WCEYVPZRCMTKFO-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50155330; PubChem:CID127034101
|
Local ready
Direct docking supported
|
|
E3L047004
BDB047004
|
BDBM50155331
CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)NS(=O)(=O)c1ccccc1
|
C23H20ClNO5S 457.935000 |
QBOZJFMLNMFACS-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50155331; PubChem:CID127034102
|
Local ready
Direct docking supported
|
|
E3L047005
BDB047005
|
BDBM50155332
CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)NS(=O)(=O)c1ccccc1
|
C25H25ClN2O5S 501.004000 |
ROQBYXMBUNMDFQ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50155332; PubChem:CID127030270
|
Local ready
Direct docking supported
|
|
E3L047006
BDB047006
|
Demethylbellidifolin
O=c1c2c(O)cc(O)cc2oc2c(O)ccc(O)c12
|
C13H8O6 260.201000 |
MPXAWSABMVLIBU-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50155426; PubChem:CID5281626
|
Local ready
Direct docking supported
|
|
E3L047007
BDB047007
|
BDBM50155448
Cc1ccc(C)c(OCCCC(C)(C)C(=O)NS(=O)(=O)c2ccccc2)c1
|
C21H27NO4S 389.517000 |
HUSNVMXZVOLEMR-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50155448; PubChem:CID127030271
|
Local ready
Direct docking supported
|
|
E3L047008
BDB047008
|
BDBM50155449
COc1ccc([C@@H](C)N2CCC[C@@H](CNCc3cc(C(=O)O)ccn3)C2=O)cc1
|
C22H27N3O4 397.475000 |
KGAMEANJVMHURT-QAPCUYQASA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM50155449; PubChem:CID127034046
|
Local ready
Direct docking supported
|
|
E3L047009
BDB047009
|
BDBM50155450
Cc1cn2c(n1)CCN(Cc1cc(C(=O)O)ccn1)CC2
|
C15H18N4O2 286.335000 |
WFMDBDXXUSMLTJ-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM50155450; PubChem:CID118421371
|
Local ready
Direct docking supported
|
|
E3L047010
BDB047010
|
BDBM50155505
CCN1CCC(CNCc2cc(C(=O)O)ccn2)C1=O
|
C14H19N3O3 277.324000 |
VXOXBJAXVLZQSJ-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM50155505; PubChem:CID118420829
|
Local ready
Direct docking supported
|
|
E3L047011
BDB047011
|
BDBM50155507
C[C@H](c1ccccc1)N1CC[C@@H](CNCc2cc(C(=O)O)ccn2)C1=O
|
C20H23N3O3 353.422000 |
PBHPFRYXXULYJJ-PBHICJAKSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM50155507; PubChem:CID127033166
|
Local ready
Direct docking supported
|
|
E3L047012
BDB047012
|
BDBM50155508
C[C@H](c1ccccc1)N1CCC[C@@H](CNCc2cc(C(=O)O)ccn2)C1=O
|
C21H25N3O3 367.449000 |
VROYSACMKZBUDU-QAPCUYQASA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM50155508; PubChem:CID127030272
|
Local ready
Direct docking supported
|
|
E3L047013
BDB047013
|
BDBM50155509
C[C@H](c1ccccc1)N1CCC[C@H](CNCc2cc(C(=O)O)ccn2)C1=O
|
C21H25N3O3 367.449000 |
VROYSACMKZBUDU-CRAIPNDOSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM50155509; PubChem:CID91938043
|
Local ready
Direct docking supported
|
|
E3L047014
BDB047014
|
BDBM50155893
CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(N)=O
|
C73H85BrN11O17S+ 1500.514000 |
DBUAWIKRKBNZMC-MQEJUTFJSA-O | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB
BindingDB:BDBM50155893
|
Local ready
Direct docking supported
|
|
E3L047015
BDB047015
|
BDBM50155931
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(N)=O
|
C72H83BrN11O17S+ 1486.487000 |
LGOXKBJUNDKRRI-NAIDRFLWSA-O | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB
BindingDB:BDBM50155931
|
Local ready
Direct docking supported
|
|
E3L047016
BDB047016
|
BDBM50155932
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(N)=O
|
C74H87BrN11O17S+ 1514.541000 |
PEVAWROSZSGFCN-CKTDPEFMSA-O | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB
BindingDB:BDBM50155932
|
Local ready
Direct docking supported
|
|
E3L047017
BDB047017
|
BDBM50156383
CC(=O)N1CCN([C@H]2C[C@@H](n3cc(-c4cc(OC[C@@H]5CCCO5)ccc4F)c4c(N)ncnc43)C2)CC1
|
C27H33FN6O3 508.598000 |
YXLQJZQRBVGUCM-ZVDOUQERSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50156383
|
Local ready
Direct docking supported
|
|
E3L047018
BDB047018
|
BDBM50156522
Cc1ccc(OC(C)(Cc2ccc(OCCc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)cc2)C(=O)O)cc1
|
C35H33NO5 547.651000 |
BMQHLQSJYWHFHJ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50156522; PubChem:CID21084268
|
Local ready
Direct docking supported
|
|
E3L047019
BDB047019
|
BDBM50156523
Cc1oc(-c2cccc(-c3ccccc3)c2)nc1CCOc1ccc(CC(C)(Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1
|
C38H39NO5 589.732000 |
XLIQVPZXRKMXIC-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50156523; PubChem:CID10210559
|
Local ready
Direct docking supported
|
|
E3L047020
BDB047020
|
BDBM50156524
Cc1ccc(OC(C)(Cc2ccc(OCCc3nc(-c4cccc(-c5ccccc5)c4)oc3C)cc2)C(=O)O)cc1
|
C35H33NO5 547.651000 |
OWGYDBJOWZBKDM-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50156524; PubChem:CID21084267
|
Local ready
Direct docking supported
|