| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047021
BDB047021
|
BDBM50156525
Cc1ccc(OC(C)(Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)C(=O)O)cc1
|
C29H29NO5 471.553000 |
ZUUDQJNRQBHZTC-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50156525; PubChem:CID22340076
|
Local ready
Direct docking supported
|
|
E3L047022
BDB047022
|
BDBM50156526
Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(CC(C)(Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1
|
C38H39NO5 589.732000 |
LWFGKMLICQWLKL-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50156526; PubChem:CID10232157
|
Local ready
Direct docking supported
|
|
E3L047023
BDB047023
|
BDBM50156527
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C)(Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1
|
C32H35NO5 513.634000 |
KKXGQUOGYDUWOF-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50156527; PubChem:CID22339979
|
Local ready
Direct docking supported
|
|
E3L047024
BDB047024
|
BDBM50157054
CCO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O
|
C26H28O6 436.504000 |
QTVFGQWILVTOFS-VWLOTQADSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50157054; PubChem:CID10115344
|
Local ready
Direct docking supported
|
|
E3L047025
BDB047025
|
BDBM50157055
CO[C@@H](Cc1ccc(OCCCOc2ccc(C(=O)c3ccccc3)cc2)c(Cl)c1)C(=O)O
|
C26H25ClO6 468.933000 |
XCVUGMYZFJHTQE-DEOSSOPVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50157055; PubChem:CID44392315
|
Local ready
Direct docking supported
|
|
E3L047026
BDB047026
|
Naveglitazar
CO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O
|
C25H26O6 422.477000 |
OKJHGOPITGTTIM-DEOSSOPVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50157056; PubChem:CID9888484
|
Local ready
Direct docking supported
|
|
E3L047027
BDB047027
|
BDBM50157057
CO[C@@H](Cc1ccc(C#CCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O
|
C27H26O5 430.500000 |
KNNHPJKYTMZLEP-SANMLTNESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50157057; PubChem:CID10113515
|
Local ready
Direct docking supported
|
|
E3L047028
BDB047028
|
BDBM50157058
COc1cc(C[C@H](OC)C(=O)O)ccc1OCCCOc1ccc(Oc2ccccc2)cc1
|
C26H28O7 452.503000 |
IUORCUOWVWRBDQ-VWLOTQADSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50157058; PubChem:CID10297760
|
Local ready
Direct docking supported
|
|
E3L047029
BDB047029
|
BDBM50157059
CO[C@@H](Cc1ccc(OCCCOc2ccc(C(=O)c3ccccc3)cc2)cc1)C(=O)O
|
C26H26O6 434.488000 |
ONPSUOOPYWPISK-DEOSSOPVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50157059; PubChem:CID10226233
|
Local ready
Direct docking supported
|
|
E3L047030
BDB047030
|
BDBM50157060
CO[C@@H](Cc1ccc(C#CCCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O
|
C26H24O5 416.473000 |
PXPYSVWYMMGIEN-VWLOTQADSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50157060; PubChem:CID10136660
|
Local ready
Direct docking supported
|
|
E3L047031
BDB047031
|
BDBM50157061
CO[C@@H](Cc1ccc(OCCCOc2ccc(-c3ccccc3)cc2)cc1)C(=O)O
|
C25H26O5 406.478000 |
CFJFKSKRLAYDHM-DEOSSOPVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50157061; PubChem:CID10223023
|
Local ready
Direct docking supported
|
|
E3L047032
BDB047032
|
BDBM50157526
COC(=O)c1cccc(NC(=O)NC2CCN(c3ccnc(Nc4ccc(F)cc4)n3)C2)c1
|
C23H23FN6O3 450.474000 |
LLVPDBRSUHNJQQ-UHFFFAOYSA-N | Q12830 | Nucleosome-remodeling factor subunit BPTF |
BindingDB, PubChem
BindingDB:BDBM50157526; PubChem:CID44525934
|
Local ready
Direct docking supported
|
|
E3L047033
BDB047033
|
3',4'-Dihydroxyflavone
O=c1cc(-c2ccc(O)c(O)c2)oc2ccccc12
|
C15H10O4 254.241000 |
SRNPMQHYWVKBAV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50157555; PubChem:CID145726
|
Local ready
Direct docking supported
|
|
E3L047034
BDB047034
|
NI-57
COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C
|
C19H17N3O4S 383.429000 |
UEMQPCYDWCSVCU-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50157570; PubChem:CID91827373
|
Local ready
Direct docking supported
|
|
E3L047035
BDB047035
|
Nvs-cecr2-1
CCCS(=O)(=O)c1nc(NC2CC2)cc(-c2ccc3c(ccn3C3CC(C)(C)NC(C)(C)C3)c2)n1
|
C27H37N5O2S 495.693000 |
XVECNLUKQDKOST-UHFFFAOYSA-N | Q12830 | Nucleosome-remodeling factor subunit BPTF |
BindingDB, PubChem
BindingDB:BDBM50157606; PubChem:CID117072550
|
Local ready
Direct docking supported
|
|
E3L047036
BDB047036
|
BDBM50157628
CC(=O)N1CCN([C@H]2C[C@@H](n3cc(-c4cccc(OC[C@@H]5CCCO5)c4F)c4c(N)ncnc43)C2)CC1
|
C27H33FN6O3 508.598000 |
KJDKBIYPTUYYHT-ZCNNSNEGSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50157628
|
Local ready
Direct docking supported
|
|
E3L047037
BDB047037
|
1-Methyl-2-quinolone
Cn1c(=O)ccc2ccccc21
|
C10H9NO 159.188000 |
QYEMNJMSULGQRD-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50157646; PubChem:CID11820
|
Local ready
Direct docking supported
|
|
E3L047038
BDB047038
|
BDBM50157879
Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@@H](CN2CCC2)C1
|
C27H29N5O 439.563000 |
AECDBHGVIIRMOI-GRGXKFILSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50157879
|
Local ready
Direct docking supported
|
|
E3L047039
BDB047039
|
BDBM50157880
Nc1ncnc2c1c(-c1cccc(O)c1)cn2[C@H]1C[C@@H](CN2CCC2)C1
|
C20H23N5O 349.438000 |
BETBNWGUKZUUAX-OTVXOJSOSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50157880
|
Local ready
Direct docking supported
|
|
E3L047040
BDB047040
|
BDBM50157881
Nc1ncnc2c1c(-c1cccc(OC[C@@H]3CCCO3)c1)cn2[C@H]1C[C@@H](CN2CCC2)C1
|
C25H31N5O2 433.556000 |
UYHKCQAFCWYUAF-DSKINZAPSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50157881
|
Local ready
Direct docking supported
|