| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055441
BDB055441
|
BDBM50418146
COCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C
|
C27H30ClNO6S 532.058000 |
SCXNMRCBDPFUOM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418146; PubChem:CID54585900
|
Local ready
Direct docking supported
|
|
E3L055442
BDB055442
|
BDBM50418147
Cc1c(-c2ccc(Cl)cc2)cccc1N(CCCC(F)(F)F)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C
|
C28H29ClF3NO5S 584.056000 |
LKVUTGRIULEFGJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418147; PubChem:CID54584937
|
Local ready
Direct docking supported
|
|
E3L055443
BDB055443
|
BDBM50418148
CCCCN(c1cccc(-c2ccc(Cl)cc2)c1Cl)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C
|
C27H29Cl2NO5S 550.504000 |
FREIJBPNQYJDDY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418148; PubChem:CID54583997
|
Local ready
Direct docking supported
|
|
E3L055444
BDB055444
|
BDBM50418149
CCCCN(c1cccc(-c2ccc(Cl)cc2)c1OC)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C
|
C28H32ClNO6S 546.085000 |
AGOONXNQGYHFDR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418149; PubChem:CID54585901
|
Local ready
Direct docking supported
|
|
E3L055445
BDB055445
|
BDBM50418150
CCCCN(c1cc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C
|
C28H29ClF3NO5S 584.056000 |
CCXPJULYZFZEGR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418150; PubChem:CID54586870
|
Local ready
Direct docking supported
|
|
E3L055446
BDB055446
|
BDBM50418151
CCCCN(c1ccc(F)c(-c2ccc(Cl)cc2)c1)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C
|
C27H29ClFNO5S 534.049000 |
XLKHHIOJLZGOJN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50418151; PubChem:CID54585902
|
Local ready
Direct docking supported
|
|
E3L055447
BDB055447
|
BDBM50418152
CCCCN(c1ccc(C)c(-c2ccc(Cl)cc2)c1)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C
|
C28H32ClNO5S 530.086000 |
ZNDDRAUEVHSTJF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418152; PubChem:CID54580015
|
Local ready
Direct docking supported
|
|
E3L055448
BDB055448
|
BDBM50418153
CCCCN(c1cc(-c2ccc(Cl)cc2)ccc1OC(F)(F)F)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C
|
C28H29ClF3NO6S 600.055000 |
OQVWOPQOCVCGSW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418153; PubChem:CID54582994
|
Local ready
Direct docking supported
|
|
E3L055449
BDB055449
|
BDBM50418154
CCCCN(c1cc(-c2ccc(Cl)cc2)ccc1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C
|
C28H32ClNO5S 530.086000 |
BVTKQJBNQKCSOL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418154; PubChem:CID54582047
|
Local ready
Direct docking supported
|
|
E3L055450
BDB055450
|
BDBM50418155
CCCCN(c1cc(-c2ccc(Cl)cc2)c(F)cc1F)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C
|
C27H28ClF2NO5S 552.039000 |
QUESCGZAIZNLDN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418155; PubChem:CID54584938
|
Local ready
Direct docking supported
|
|
E3L055451
BDB055451
|
BDBM50418156
CCCCN(c1cc(-c2ccc(Cl)cc2)c(F)cc1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C
|
C28H31ClFNO5S 548.076000 |
LXSLFGKGTOSBCI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50418156; PubChem:CID54583998
|
Local ready
Direct docking supported
|
|
E3L055452
BDB055452
|
BDBM50418157
CCCCN(c1c(C)cc(C)c(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C
|
C30H36ClNO5S 558.140000 |
UELOYCXVTMFRNT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50418157; PubChem:CID54586871
|
Local ready
Direct docking supported
|
|
E3L055453
BDB055453
|
BDBM50418158
CCCCN(c1cccc(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C
|
C28H32ClNO5S 530.086000 |
BDJSGWHOSXSQIT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418158; PubChem:CID54581011
|
Local ready
Direct docking supported
|
|
E3L055454
BDB055454
|
BDBM50418159
CCCCN(c1cccc(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C
|
C28H31Cl2NO5S 564.531000 |
DPVVRLPGCOQZLR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418159; PubChem:CID54580016
|
Local ready
Direct docking supported
|
|
E3L055455
BDB055455
|
BDBM50418160
CCCCN(c1cccc(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C
|
C28H32ClNO5S 530.086000 |
WCQJVRZUTJFFBE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50418160; PubChem:CID54582995
|
Local ready
Direct docking supported
|
|
E3L055456
BDB055456
|
BDBM50418161
CCCCN(c1cccc(-c2ccc(C(F)(F)F)cc2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C
|
C29H32F3NO5S 563.638000 |
XEMPWVKZHNFSQI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50418161; PubChem:CID54586872
|
Local ready
Direct docking supported
|
|
E3L055457
BDB055457
|
BDBM50418162
CCCCN(c1cccc(-c2ccc(OC(F)(F)F)cc2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C
|
C29H32F3NO6S 579.637000 |
JYCKBJRDVRAJCY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418162; PubChem:CID54586873
|
Local ready
Direct docking supported
|
|
E3L055458
BDB055458
|
BDBM50418165
CCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1
|
C23H27N3O3S 425.554000 |
ZJPQAWUONSYBKW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418165; PubChem:CID11453049
|
Local ready
Direct docking supported
|
|
E3L055459
BDB055459
|
BDBM50418230
Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCC[C@H](C(=O)NC3CCCC3)C2)n1
|
C22H28N8O 420.521000 |
JBDVDZJOAKYYCL-AWEZNQCLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418230; PubChem:CID51357419
|
Local ready
Direct docking supported
|
|
E3L055460
BDB055460
|
BDBM50418231
CC(C)Nc1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
|
C14H17N7 283.339000 |
HABRRQSUPGOZTD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418231; PubChem:CID51356854
|
Local ready
Direct docking supported
|