| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049561
BDB049561
|
BDBM50243976
COc1ccc(F)c(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c1
|
C25H27F4N3O4 509.500000 |
BDPNHWBEGPIVNU-BTYIYWSLSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50243976; PubChem:CID77845055
|
Local ready
Direct docking supported
|
|
E3L049562
BDB049562
|
BDBM50243979
COc1cc(C2=C(c3cn(CC(O)CO)c4ccccc34)CNC2=O)cc(OC)c1OC
|
C24H26N2O6 438.480000 |
XEPJRQDBXHUPBR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50243979; PubChem:CID24895100
|
Local ready
Direct docking supported
|
|
E3L049563
BDB049563
|
BDBM50243980
COc1cc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2)cc(OC)c1OC
|
C22H22N2O4 378.428000 |
DUPIINAVKMGMHG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50243980; PubChem:CID24894883
|
Local ready
Direct docking supported
|
|
E3L049564
BDB049564
|
BDBM50243983
COc1ccc(F)c(-c2ccc(Cc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)c(C)c2)c1
|
C28H26F4N2O3 514.519000 |
IBDOODOEDXIXTC-GKVSMKOHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50243983; PubChem:CID90159227
|
Local ready
Direct docking supported
|
|
E3L049565
BDB049565
|
BDBM50244023
COc1ccc(F)c(N2CCC(Oc3ccc(N4CCC[C@@H]4CC(=O)O)cc3)CC2)c1
|
C24H29FN2O4 428.504000 |
OPHAPZIKCGUXLJ-GOSISDBHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50244023; PubChem:CID130253300
|
Local ready
Direct docking supported
|
|
E3L049566
BDB049566
|
BDBM50244031
COc1ccc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2)cc1
|
C19H16N2O2 304.349000 |
XIOUIJRUBUIKSA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50244031; PubChem:CID24894884
|
Local ready
Direct docking supported
|
|
E3L049567
BDB049567
|
BDBM50244066
COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1
|
C28H27F4NO3 501.520000 |
PKUNNSLPQXPQEP-FYYLOGMGSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50244066; PubChem:CID132606863
|
Local ready
Direct docking supported
|
|
E3L049568
BDB049568
|
BDBM50244312
O=C(O)CCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1
|
C17H14ClNO4S 363.822000 |
KWWUGVCSFKNBOZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50244312; PubChem:CID68674744
|
Local ready
Direct docking supported
|
|
E3L049569
BDB049569
|
BDBM50244314
O=C(O)CCCc1cc2cc(C(F)(F)F)ccc2n1S(=O)(=O)c1ccccc1
|
C19H16F3NO4S 411.401000 |
ODYYKZDXDKTSNE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50244314; PubChem:CID137651528
|
Local ready
Direct docking supported
|
|
E3L049570
BDB049570
|
4-[1-(Benzenesulfonyl)-5-methylindol-2-yl]butanoic acid
Cc1ccc2c(c1)cc(CCCC(=O)O)n2S(=O)(=O)c1ccccc1
|
C19H19NO4S 357.431000 |
LHINNMZIQFJVNI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50244315; PubChem:CID137655707
|
Local ready
Direct docking supported
|
|
E3L049571
BDB049571
|
BDBM50244324
COc1cccc(S(=O)(=O)n2c(CCCC(=O)O)cc3cc(C(F)(F)F)ccc32)c1
|
C20H18F3NO5S 441.427000 |
FZRGQHOQBMCEHM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50244324; PubChem:CID137648584
|
Local ready
Direct docking supported
|
|
E3L049572
BDB049572
|
BDBM50244325
O=C(O)CCCc1cc2cc(C(F)(F)F)ccc2n1S(=O)(=O)c1cccc(Cl)c1
|
C19H15ClF3NO4S 445.846000 |
XNTWWHKKRVWSRT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50244325; PubChem:CID137633420
|
Local ready
Direct docking supported
|
|
E3L049573
BDB049573
|
BDBM50244326
O=C(O)CCCc1cc2cc(C(F)(F)F)ccc2n1S(=O)(=O)c1ccc(Cl)cc1
|
C19H15ClF3NO4S 445.846000 |
XHOHYOGYZFLIRE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50244326; PubChem:CID137637824
|
Local ready
Direct docking supported
|
|
E3L049574
BDB049574
|
BDBM50244345
O=C(O)CCCc1cc2cc(C(F)(F)F)ccc2n1S(=O)(=O)c1ccc(OC(F)(F)F)cc1
|
C20H15F6NO5S 495.397000 |
GTCGOWXPZOMCOM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50244345; PubChem:CID137659246
|
Local ready
Direct docking supported
|
|
E3L049575
BDB049575
|
BDBM50244346
COc1cccc(S(=O)(=O)n2c(CCCC(=O)O)cc3cc(Cl)ccc32)c1
|
C19H18ClNO5S 407.875000 |
GDPIDLOAVHVSMK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50244346; PubChem:CID68676471
|
Local ready
Direct docking supported
|
|
E3L049576
BDB049576
|
BDBM50244347
Cc1cccc(S(=O)(=O)n2c(CCCC(=O)O)cc3cc(Cl)ccc32)c1
|
C19H18ClNO4S 391.876000 |
IEWRPAILASDPDG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50244347; PubChem:CID137641115
|
Local ready
Direct docking supported
|
|
E3L049577
BDB049577
|
BDBM50244348
CN1CCOc2ccc(S(=O)(=O)n3c(CCCC(=O)O)cc4cc(Cl)ccc43)cc21
|
C21H21ClN2O5S 448.928000 |
QUNCJBGXLCSCJY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50244348; PubChem:CID137647253
|
Local ready
Direct docking supported
|
|
E3L049578
BDB049578
|
BDBM50244349
O=C(O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2c(c1)OCO2
|
C19H16ClNO6S 421.858000 |
NQTSCOAKLNPSFQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50244349; PubChem:CID15981441
|
Local ready
Direct docking supported
|
|
E3L049579
BDB049579
|
Lanifibranor
O=C(O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2ncsc2c1
|
C19H15ClN2O4S2 434.926000 |
OQDQIFQRNZIEEJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50244350; PubChem:CID68677842
|
Local ready
Direct docking supported
|
|
E3L049580
BDB049580
|
4-[1-(Benzenesulfonyl)-5-chloroindol-2-yl]butanoic acid
O=C(O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1
|
C18H16ClNO4S 377.849000 |
SBAAVYXBNCUZEH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50244361; PubChem:CID68677403
|
Local ready
Direct docking supported
|