| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L007921
BDB007921
|
BDBM190477
Cc1oc(-c2ccccc2)nc1CC(=O)OCc1ccc(CC(SCCc2ccc(F)cc2)C(=O)O)cc1
|
C30H28FNO5S 533.621000 |
UEUVSLJEUDTYNY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190477; PubChem:CID25095230
|
Local ready
Direct docking supported
|
|
E3L007922
BDB007922
|
BDBM190478
CS(=O)(=O)Oc1ccc(COC(=O)c2ccc(CC(SCCc3ccc(F)cc3)C(=O)O)cc2)cc1
|
C26H25FO7S2 532.611000 |
NMHMDHROGVWQMY-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM190478; PubChem:CID25095231
|
Local ready
Direct docking supported
|
|
E3L007923
BDB007923
|
BDBM190479
O=C(Cc1ccc(CC(C(=O)O)S(=O)(=O)CCc2ccc(F)cc2)cc1)OCc1ccc(C(F)(F)F)cc1
|
C27H24F4O6S 552.542000 |
RHUFPLDOZQGOCO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM190479; PubChem:CID25095232
|
Local ready
Direct docking supported
|
|
E3L007924
BDB007924
|
BDBM190480
CS(=O)(=O)Oc1ccc(CCSC(=O)c2ccc(CC(SCCc3ccc(F)cc3)C(=O)O)cc2)cc1
|
C27H27FO6S3 562.706000 |
RZTKFZPOIVOHPD-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM190480; PubChem:CID25095233
|
Local ready
Direct docking supported
|
|
E3L007925
BDB007925
|
BDBM190483
CCOC(Cc1ccc(OC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)c(C)c1)C(=O)O
|
C25H31NO7 457.523000 |
WOWLTEMGRCOGNX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190483; PubChem:CID66865148
|
Local ready
Direct docking supported
|
|
E3L007926
BDB007926
|
BDBM190484
CCOC(Cc1ccc(C(=O)OCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O
|
C20H22O8S 422.455000 |
PLJIGWDWHBHANZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190484; PubChem:CID86650314
|
Local ready
Direct docking supported
|
|
E3L007927
BDB007927
|
BDBM190485
Cc1cccc(C)c1COC(=O)Cc1ccc(SCc2ccccc2C(=O)O)cc1
|
C25H24O4S 420.530000 |
FCZZVCGOPZITBB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190485; PubChem:CID66864922
|
Local ready
Direct docking supported
|
|
E3L007928
BDB007928
|
BDBM190486
C=CCC(OC(=O)Cc1ccc(SCc2ccccc2C(=O)O)cc1)c1ccccc1
|
C26H24O4S 432.541000 |
JVENQZZNMYOHID-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM190486; PubChem:CID66865260
|
Local ready
Direct docking supported
|
|
E3L007929
BDB007929
|
BDBM190487
COC(=O)C(Cc1ccccc1)OC(=O)Cc1cccc(SCc2ccccc2C(=O)O)c1
|
C26H24O6S 464.539000 |
TUUFTMIGNYKJRE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM190487; PubChem:CID66864663
|
Local ready
Direct docking supported
|
|
E3L007930
BDB007930
|
BDBM190488
COc1ccc(CCOC(=O)Cc2ccc(SCc3ccccc3C(=O)O)cc2)cc1OC
|
C26H26O6S 466.555000 |
ABVHEHZICJEVGU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190488; PubChem:CID66865385
|
Local ready
Direct docking supported
|
|
E3L007931
BDB007931
|
BDBM190489
COC(=O)C(Cc1ccccc1)OC(=O)Cc1ccc(SCc2ccccc2C(=O)O)cc1
|
C26H24O6S 464.539000 |
IGBYFFNGMOEBDO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190489; PubChem:CID66864803
|
Local ready
Direct docking supported
|
|
E3L007932
BDB007932
|
BDBM190490
O=C(Cc1cccc(SCc2ccccc2C(=O)O)c1)OCCc1ccccc1C(F)(F)F
|
C25H21F3O4S 474.500000 |
CHSXHLDLSIAEFC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190490; PubChem:CID66865057
|
Local ready
Direct docking supported
|
|
E3L007933
BDB007933
|
BDBM190491
COC(=O)C(c1ccccc1)(c1ccc(SCc2ccccc2C(=O)O)cc1)c1ncco1
|
C26H21NO5S 459.523000 |
MRHVWDNZDAVGRG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190491; PubChem:CID66865319
|
Local ready
Direct docking supported
|
|
E3L007934
BDB007934
|
BDBM190492
O=C(Cc1ccc(SCc2ccccc2C(=O)O)cc1)OCCc1ccccc1C(F)(F)F
|
C25H21F3O4S 474.500000 |
NRQYLLLUAAWYSO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190492; PubChem:CID66865007
|
Local ready
Direct docking supported
|
|
E3L007935
BDB007935
|
BDBM190493
Cc1cccc(C)c1COC(=O)Cc1cccc(SCc2ccccc2C(=O)O)c1
|
C25H24O4S 420.530000 |
MKCVTNDFNUUJRE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190493; PubChem:CID66865368
|
Local ready
Direct docking supported
|
|
E3L007936
BDB007936
|
BDBM190494
O=C(Cc1cccc(SCc2ccccc2C(=O)O)c1)OCc1ccc(-n2cccn2)cc1
|
C26H22N2O4S 458.539000 |
AXQMUYRTTSTGMC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190494; PubChem:CID66866300
|
Local ready
Direct docking supported
|
|
E3L007937
BDB007937
|
BDBM190495
O=C(Cc1ccc(SCc2ccccc2C(=O)O)cc1)OCc1ccc(-n2cccn2)cc1
|
C26H22N2O4S 458.539000 |
GTEOBICMKRWSPR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190495; PubChem:CID66865274
|
Local ready
Direct docking supported
|
|
E3L007938
BDB007938
|
BDBM190496
COc1ccc(CCOC(=O)Cc2cccc(SCc3ccccc3C(=O)O)c2)cc1OC
|
C26H26O6S 466.555000 |
FRPNKVWZMXYCNT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190496; PubChem:CID66865380
|
Local ready
Direct docking supported
|
|
E3L007939
BDB007939
|
BDBM191141
O=C(CN1CCC(C(=O)c2ccc(Cl)cc2)CC1)NCc1nc2c(c(=O)[nH]1)COCC2
|
C22H25ClN4O4 444.919000 |
HNYALLOQJOASHW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191141; PubChem:CID136237303
|
Local ready
Direct docking supported
|
|
E3L007940
BDB007940
|
BDBM191142
CC(C)Oc1ccc(C(=O)C2CCN(CC(=O)NCc3nc4c(c(=O)[nH]3)COCC4)CC2)cc1
|
C25H32N4O5 468.554000 |
GDPXXNADTSHZLW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191142; PubChem:CID136237304
|
Local ready
Direct docking supported
|